SCHEMBL1400442

SCHEMBL1400442

CC(C)n1cnc2c(NCc3ccccc3)nc(Cl)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 19/20 1.00
▸ TDP1 Q9NUW8 2/20 0.78
▸ KDM4E B2RXH2 1/20 0.78
▸ NPC1 O15118 1/20 0.78
▸ MAPT P10636 1/20 0.78
▸ CDK5 Q00535 9/20 0.76
▸ CCNB1 P14635 6/20 0.68
▸ CDK2 P24941 5/20 0.68
▸ CCNB2 O95067 2/20 0.68
▸ CCNB3 Q8WWL7 2/20 0.68
▸ CSNK1D P48730 1/20 0.67
▸ CLK2 P49760 1/20 0.67
▸ DYRK1A Q13627 1/20 0.67
▸ HIPK4 Q8NE63 1/20 0.67
▸ SRPK1 Q96SB4 1/20 0.67
▸ CLK4 Q9HAZ1 1/20 0.67
▸ TP53 P04637 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62

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
SCHEMBL17628615 0.93 CDK1 (0.87) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL5196875 0.91 CDK1 (0.83) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL6152647 0.90 CDK1 (0.82) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL6821050 0.89 CDK1 (0.79) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL21450119 0.89 CDK1 (0.79) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL31072401 0.88 CDK1 (0.79) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL17628610 0.88 CDK1 (0.79) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL28459824 0.88 CDK1 (0.79) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL5192872 0.88 CDK1 (0.79) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL28771322 0.88 CDK1 (0.79) CDK1TDP1KDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 — — WO disclosed
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-12-28 — — US disclosed
US-11174261-B2 — — 2021-11-16 — — US 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
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-10519160-B2 Imaging agents for neural flux THE GENERAL HOSPITAL CORPORATION (US) 2019-12-31 — — US disclosed
US-20180258090-A1 IMAGING AGENTS FOR NEURAL FLUX UNITED STATES DEPARTMENT OF ENERGY 2018-09-13 — — US disclosed
US-20180161340-A1 METHODS AND COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF HEARING LOSS ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2018-06-14 — — US 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-6413974-B1 INHIBITORS OF CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; PREVENTING APOPTOSIS IN NEURONAL CELLS; ANTINEOPLASTIC AGENTS; NEURONAL INJURY AND DEGENERATION; CEREBROVASCULAR DISEASE AVENTIS PHARMACEUTICALS INC. 2002-07-02 — — US 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-1056745-A2 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 — — EP disclosed
WO-1999043676-A2 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 — — WO 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 (8 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 6/4885TDP1 503/4885KDM4E 3590/4885
US-20200179397-A1 METHODS AND COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF HEARING LOSS CDK2, CDK5, CDK20 CDK1 6/4885TDP1 503/4885KDM4E 3590/4885
US-11174261-B2 — ENTPD5, NT5E, ENTPD1 CDK1 928/4885TDP1 372/4885KDM4E 1291/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 CDK1 1381/4885TDP1 336/4885KDM4E 1397/4885
US-20180161340-A1 METHODS AND COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF HEARING LOSS CDK2, CDK5, CDK20 CDK1 6/4885TDP1 503/4885KDM4E 3590/4885
US-10519160-B2 Imaging agents for neural flux SLC18A2, SLC18A3, PMP22 CDK1 2522/4885TDP1 1230/4885KDM4E 4777/4885
US-20020049218-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses PNP, TYMP, NUDT1 CDK1 501/4885TDP1 144/4885KDM4E 1959/4885
US-20180258090-A1 IMAGING AGENTS FOR NEURAL FLUX SLC18A2, SLC18A3, PMP22 CDK1 2522/4885TDP1 1230/4885KDM4E 4777/4885

“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.

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