SCHEMBL25216705

SCHEMBL25216705

COCc1cc2c(cc1[N+](=O)[O-])nc(N1C[C@H](F)C[C@@H](Nc3ncc(C(F)(F)F)cn3)C1)n2C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MCHR1 Q99705 1/20 0.31
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL30464393 1.00 MET (0.33) METCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL25220796 0.88 PKM (0.32) METMCHR1MAPT
SCHEMBL25275778 0.88 PKM (0.32) METMCHR1MAPT
SCHEMBL25222644 0.87 IL1B (0.33) MET
SCHEMBL30464446 0.87 IL1B (0.33) MET
SCHEMBL25279111 0.87 IL1B (0.33) MET
SCHEMBL25285585 0.86 CHRM4 (0.34) METCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL25218322 0.86 CHRM4 (0.34) METCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL25279915 0.86 CHRM4 (0.34) METCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL25263303 0.84 SERPINE1 (0.36) METCYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 US disclosed
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 MET 1571/4885CYP1A2 1325/4885CYP3A4 2861/4885

“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.