SCHEMBL24449917

SCHEMBL24449917

CC(Nc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 1/20 0.55
▸ BMPR1A P36894 1/20 0.55
▸ TGFBR1 P36897 1/20 0.55
▸ ACVRL1 P37023 1/20 0.55
▸ ACVR1 Q04771 1/20 0.55
▸ CYP1A2 P05177 3/20 0.53
▸ CYP11B1 P15538 3/20 0.53
▸ CYP11B2 P19099 3/20 0.53
▸ AKT1 P31749 4/20 0.50
▸ PDE3B Q13370 2/20 0.49
▸ PDE3A Q14432 2/20 0.49
▸ GRIA1 P42261 3/20 0.46
▸ CACNG8 Q8WXS5 2/20 0.46
▸ FGFR1 P11362 1/20 0.45
▸ FGFR2 P21802 1/20 0.45
▸ FGFR3 P22607 1/20 0.45
▸ PGR P06401 2/20 0.44
▸ PIP4K2A P48426 1/20 0.43
▸ PIP4K2B P78356 1/20 0.43
▸ CDK2 P24941 2/20 0.43

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
SCHEMBL15807026 0.85 FGFR1 (0.61) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL28020324 0.85 FGFR1 (0.61) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL15799235 0.84 AKT1 (0.52) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL15799840 0.82 FGFR1 (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL15799841 0.82 FGFR1 (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL15799839 0.82 FGFR1 (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL22191277 0.78 CDK2 (0.60) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL22191407 0.76 CCNC (0.46) AKT1PDE3BPDE3AGRIA1CACNG8
SCHEMBL22191728 0.76 CCNC (0.46) AKT1PDE3BPDE3AGRIA1CACNG8
SCHEMBL22191409 0.76 CCNC (0.46) AKT1PDE3BPDE3AGRIA1CACNG8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 BMPR1B 3637/4885BMPR1A 3476/4885TGFBR1 1983/4885

“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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