SCHEMBL25263303

SCHEMBL25263303

Cn1c(N2C[C@H](F)C[C@@H](Nc3ncc(C(F)(F)F)cn3)C2)nc2cc([N+](=O)[O-])c(N3CCCC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.36
LMNA P02545 3/20 0.35
MCHR1 Q99705 1/20 0.34
MAPT P10636 7/20 0.34
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.33
PHGDH O43175 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MET P08581 1/20 0.32
GPR174 Q9BXC1 1/20 0.32

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
SCHEMBL30533997 1.00 SERPINE1 (0.36) SERPINE1LMNAMCHR1MAPTALDH1A1
SCHEMBL25275778 0.89 PKM (0.32) MCHR1MAPTMET
SCHEMBL25220796 0.89 PKM (0.32) MCHR1MAPTMET
SCHEMBL25222644 0.89 IL1B (0.33) ALDH1A1MEN1KMT2AMET
SCHEMBL30464446 0.89 IL1B (0.33) ALDH1A1MEN1KMT2AMET
SCHEMBL25279111 0.89 IL1B (0.33) ALDH1A1MEN1KMT2AMET
SCHEMBL25279915 0.88 CHRM4 (0.34) MAPTCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL25285585 0.88 CHRM4 (0.34) MAPTCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL25218322 0.88 CHRM4 (0.34) MAPTCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL25268511 0.86 GRM6 (0.33) MAPTCYP2C9MEN1KMT2A

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 SERPINE1 2439/4885LMNA 1157/4885MCHR1 3442/4885

“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.