SCHEMBL22191681

SCHEMBL22191681

O=C(Nc1ccccc1)c1cncc(-c2ccc3[nH]c(=O)[nH]c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.54
▸ CDK8 P49336 1/20 0.54
▸ CDK7 P50613 6/20 0.53
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ SCN10A Q9Y5Y9 2/20 0.46
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CLK2 P49760 1/20 0.44

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
SCHEMBL22191704 0.88 CDK7 (0.57) CDK7MAPTCLK2CLK3DYRK1A
SCHEMBL22191123 0.81 MAPT (0.50) MAPTALDH1A1KDM4EMAPK1MCL1
SCHEMBL27828390 0.80 CCNC (0.64) CCNCCDK8ALDH1A1SCN10APTPN1
SCHEMBL20772514 0.79 MAPT (0.62) MAPTALDH1A1KDM4EMAPK1PTPN1
SCHEMBL22191846 0.79 XDH (0.54) CDK7MAPTALDH1A1MCL1PDE3B
SCHEMBL12190884 0.78 CCNC (0.62) CCNCCDK8SCN10APTPN1MEN1
SCHEMBL12191060 0.77 SCN10A (0.72) CCNCCDK8SCN10APTPN1MEN1
SCHEMBL27828346 0.77 HTT (0.64) CCNCCDK8ALDH1A1KDM4ESCN10A
SCHEMBL12191048 0.76 ABL1 (0.68) CCNCCDK8MAPTALDH1A1KDM4E
SCHEMBL22191140 0.76 PDE3B (0.47) MAPTALDH1A1KDM4EPDE3BPDE3A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906233-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-31 — — EP disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 — — US disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 — — US disclosed
EP-3906233-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
CN-113508111-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-15 — — CN disclosed
WO-2020142485-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-07-09 — — 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 (1 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-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 CCNC 594/4885CDK8 163/4885CDK7 120/4885

“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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