SCHEMBL1216376

SCHEMBL1216376

Clc1nc(NCc2ccccc2)c2nc[nH]c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.55
PDE5A O76074 1/20 0.55
APP P05067 1/20 0.55
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
TMIGD3 P0DMS9 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK1 P28482 1/20 0.48
ESR1 P03372 1/20 0.45
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6780917 0.92 CDK1 (0.48) CDK1PDE5AAPPPDE4APDE4B
SCHEMBL5828183 0.89 CCNE2 (0.52) CDK1PDE5AAPPTMIGD3HTR2C
SCHEMBL14181335 0.88 CDK1 (0.47) CDK1PDE5AAPPPDE4APDE4B
SCHEMBL20119583 0.87 TMIGD3 (0.43) CDK1PDE5AAPPPDE4APDE4B
SCHEMBL19459471 0.87 TMIGD3 (0.68) TMIGD3HTR2CHTR2B
SCHEMBL30141144 0.87 TMIGD3 (0.68) TMIGD3HTR2CHTR2B
SCHEMBL26784724 0.86 CCNE2 (0.44) CDK1PDE5AAPPPDE4APDE4B
SCHEMBL3852234 0.85 KDM4C (0.49) CDK1PDE5ATMIGD3HTR2CHTR2B
SCHEMBL19799154 0.84 TMIGD3 (0.53) CDK1APPTMIGD3HTR2CHTR2B
SCHEMBL7075104 0.84 TMIGD3 (0.53) TMIGD3HTR2CHTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 US claimed
CN-116492347-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2023-07-28 CN disclosed
US-20230000881-A1 METHODS AND COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF HEARING LOSS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2023-01-05 US disclosed
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 US disclosed
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 US disclosed
CN-113444113-A Artemisinin-base split compound or pharmaceutically acceptable salt thereof, pharmaceutical preparation and application 贵州大学 2021-09-28 CN disclosed
EP-3786164-A1 METHODS AND COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF HEARING LOSS Ting Therapeutics LLC (US) 2021-03-03 EP disclosed
EP-3310783-B1 COMPOSITIONS FOR THE PREVENTION OF HEARING LOSS TING THERAPEUTICS LLC (US) 2020-11-04 EP disclosed
WO-2020186220-A1 COMPOUNDS AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2020-09-17 WO disclosed
US-20200179397-A1 METHODS AND COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF HEARING LOSS ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2020-06-11 US disclosed
US-6703395-B2 ADMINISTERING2-(((3-HYDROXYPROPYL)AMINO)-6-BENZYLAMINO)-9 -ISOPROPYLPURINE OR ITS SALT FOR THERAPY OF LEUKEMIA INSTITUTE OF EXPERIMENTAL BOTANY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2004-03-09 US disclosed
US-20030186999-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2003-10-02 US disclosed
EP-1308447-A1 Purine derivatives having antiproliferative properties and biological uses thereof Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2003-05-07 EP disclosed
EP-0874847-B1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NAT RECH SCIENT (FR) 2003-03-19 EP disclosed
US-20020065293-A1 Cyclin dependent kinase inhibitor INSTITUTE OF EXPERIMENTAL BOTANY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC 2002-05-30 US disclosed
US-20020049218-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2002-04-25 US disclosed
US-6316456-B1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2001-11-13 US disclosed
US-6221873-B1 CONTACTING SAID CELL WITH A COMPOUND 2-(HYDROXYALKYLAMINO)-6-BENZYLAMINO-9-ISOPROPYLPURINE; CDK4 CDK7 ENZYMES ARE INHIBITED IN SAID CELL. INSTITUTE OF EXPERIMENTAL BOTANY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2001-04-24 US disclosed
EP-0874847-A1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-11-04 EP disclosed
WO-1997020842-A1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 1997-06-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230000881-A1 METHODS AND COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF HEARING LOSS CDK2, CDK5, CDK20 CDK1 6/4885PDE5A 1660/4885APP 1395/4885
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor MIF, MMP12, SLC11A2 CDK1 3328/4885PDE5A 459/4885APP 2138/4885
US-20200179397-A1 METHODS AND COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF HEARING LOSS CDK2, CDK5, CDK20 CDK1 6/4885PDE5A 1660/4885APP 1395/4885
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) PRKAG2, PRKAB2, PRKAG1 CDK1 2235/4885PDE5A 566/4885APP 1642/4885
US-20030186999-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses PNP, TYMP, NUDT1 CDK1 501/4885PDE5A 680/4885APP 2732/4885
US-20020049218-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses PNP, TYMP, NUDT1 CDK1 501/4885PDE5A 680/4885APP 2732/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.