SCHEMBL256355

SCHEMBL256355

Cn1cc2ccncc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.43
CYP2A6 P11509 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NFATC1 O95644 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2B6 P20813 1/20 0.36
MAPT P10636 4/20 0.36
CYP19A1 P11511 3/20 0.35
PRKCZ Q05513 1/20 0.34
ATM Q13315 1/20 0.34
TOP2A P11388 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL822768 0.77 HTR2A (0.42) HASPINCYP2C9CYP2C19NFATC1GSK3B
SCHEMBL24669478 0.76 USP2 (0.38) HASPINCYP2C9CYP2C19NFATC1GSK3B
SCHEMBL15935200 0.76 HASPIN (0.37) HASPINCYP2A6CYP2C9CYP2C19NFATC1
SCHEMBL24668531 0.73 HASPIN (0.35) HASPINCYP2A6CYP2C19GSK3BDYRK1A
SCHEMBL152013 0.73 CYP19A1 (0.45) CYP2A6CYP2C9CYP2C19DYRK1AMAPT
SCHEMBL5004695 0.71 ALDH1A1 (0.36) TOP2A
SCHEMBL31613470 0.70 PRKCZ (0.48) HASPINCYP2A6CYP2C9CYP2C19DYRK1A
Hydrochloric Acid SCHEMBL38666248 0.70 CYP19A1 (0.43) CYP2A6CYP2C9CYP2C19DYRK1AMAPT
SCHEMBL140144 0.70 PRKCZ (0.48) HASPINCYP2A6CYP2C9CYP2C19DYRK1A
Bromide SCHEMBL30097072 0.70 CYP19A1 (0.43) HASPINCYP2A6CYP2C9CYP2C19DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242511-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLIXOGEN THERAPEUTICS LTD. (IL) 2023-08-03 US disclosed
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed
WO-2022263548-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS LEAD DISCOVERY CENTER GMBH (DE) 2022-12-22 WO disclosed
EP-4104901-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS Lead Discovery Center GmbH (DE) 2022-12-21 EP disclosed
US-20210198269-A1 INHIBITORS OF GLUCOSE TRANSPORTERS (GLUTs) MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-07-01 US disclosed
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 EP disclosed
EP-3498701-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2019-06-19 EP disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
WO-2012041292-A2 COMPOUNDS FOR DIAGNOSING NEURODEGENERATIVE DISEASES AT THE RETINA KLINIKUM DARMSTADT GMBH (DE) 2012-04-05 WO disclosed
WO-2012037928-A2 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM KLINIKUM DARMSTADT GMBH (DE) 2012-03-29 WO disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO disclosed
EP-2423208-A1 Pharmaceutically active compounds as Axl inhibitors Lead Discovery Center GmbH (DE) 2012-02-29 EP disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 US disclosed
US-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2011-09-22 US disclosed
US-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2011-09-22 US disclosed
EP-2210881-A1 Derivatives of syringolin A Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2010-07-28 EP disclosed
WO-2010081731-A2 DERIVATIVES OF SYRINGOLIN A Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V (DE) 2010-07-22 WO disclosed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 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 (5 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-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS TGM2, TGM3, TGM1 HASPIN 3427/4885CYP2A6 4088/4885CYP2C9 2482/4885
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 HASPIN 4333/4885CYP2A6 2473/4885CYP2C9 575/4885
US-20210198269-A1 INHIBITORS OF GLUCOSE TRANSPORTERS (GLUTs) SLC2A1, SLC2A3, SLC2A4 HASPIN 1794/4885CYP2A6 675/4885CYP2C9 623/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 HASPIN 1693/4885CYP2A6 3503/4885CYP2C9 2246/4885
US-20230242511-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLI1, SHH, GLI2 HASPIN 1459/4885CYP2A6 3656/4885CYP2C9 3666/4885

“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.