SCHEMBL22191136

SCHEMBL22191136

COc1ccccc1Nc1ncc(-c2ccc3[nH]c(=O)[nH]c3c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ GRIA1 P42261 1/20 0.49
▸ CACNG8 Q8WXS5 1/20 0.49
▸ MAPK10 P53779 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ CDK2 P24941 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ TTK P33981 1/20 0.43
▸ EGFR P00533 2/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ PDE3B Q13370 2/20 0.43
▸ PDE3A Q14432 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ PLK4 O00444 1/20 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
SCHEMBL22190930 0.82 AURKB (0.44) MAPTGRIA1CACNG8MAPK10CDK2
SCHEMBL22190872 0.82 AURKB (0.55) MAPTGRIA1CACNG8CDK2AURKA
SCHEMBL29437830 0.82 AURKB (0.55) MAPTGRIA1CACNG8CDK2AURKA
SCHEMBL22191259 0.81 USP2 (0.50) GRIA1CACNG8CDK2CCNA2EGFR
SCHEMBL22191685 0.79 RET (0.51) MAPTGRIA1CACNG8CDK2AURKA
SCHEMBL22191405 0.79 HDAC3 (0.47) MAPTCDK2AURKACCNA2TTK
SCHEMBL22191718 0.76 MAPT (0.47) MAPTGRIA1CACNG8PDE3BPDE3A
SCHEMBL22190851 0.74 MAPT (0.48) MAPTGRIA1CACNG8AURKAPDE3B
SCHEMBL6810640 0.74 MAPT (0.53) MAPTMAPK10RAB9ACDK2AURKA
SCHEMBL22191095 0.73 PLK4 (0.50) MAPTGRIA1CACNG8CDK2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064146-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 2022-03-03 — — US disclosed
EP-3906028-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
CN-113543783-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-22 — — CN disclosed
WO-2020142486-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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, MAP3K20, CSNK1G3 MAPT 1414/4885GRIA1 834/4885CACNG8 2127/4885

“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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