SCHEMBL30464446

SCHEMBL30464446

Cc1cc2c(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 12)

geneUniProtsupporting neighboursconfidence
IL1B P01584 4/20 0.33
PKM P14618 1/20 0.31
FGFR4 P22455 1/20 0.31
CHRM4 P08173 3/20 0.31
MET P08581 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
CXCR3 P49682 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
SCHEMBL25279111 1.00 IL1B (0.33) IL1BPKMFGFR4CHRM4MET
SCHEMBL25222644 1.00 IL1B (0.33) IL1BPKMFGFR4CHRM4MET
SCHEMBL25220796 0.92 PKM (0.32) PKMCHRM4METNR1H2NR1H3
SCHEMBL25275778 0.92 PKM (0.32) PKMCHRM4METNR1H2NR1H3
SCHEMBL25218322 0.91 CHRM4 (0.34) PKMFGFR4CHRM4METMEN1
SCHEMBL25285585 0.91 CHRM4 (0.34) PKMFGFR4CHRM4METMEN1
SCHEMBL25279915 0.91 CHRM4 (0.34) PKMFGFR4CHRM4METMEN1
SCHEMBL25263303 0.89 SERPINE1 (0.36) METALDH1A1MEN1KMT2A
SCHEMBL25268511 0.89 GRM6 (0.33) MEN1KMT2A
SCHEMBL30534009 0.89 GRM6 (0.33) MEN1KMT2A

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 2 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
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 IL1B 4842/4885PKM 727/4885FGFR4 1564/4885

“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.