SCHEMBL30464352

SCHEMBL30464352

CO[C@@H]1C[C@@H](N2C(=O)c3ccccc3C2=O)CN(c2nc3cc([N+](=O)[O-])c(C)cc3n2C)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
AGTR1 P30556 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BRD1 O95696 1/20 0.31
TAF1 P21675 1/20 0.31
BRPF1 P55201 1/20 0.31
ALOX5 P09917 1/20 0.31
ALOX15 P16050 1/20 0.31
PTGS2 P35354 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL25225783 1.00 HSD11B1 (0.36) HSD11B1ALDH1A1LMNAAGTR1RAB9A
SCHEMBL25223448 0.80 HSD11B1 (0.35) HSD11B1ALDH1A1TRPV1
SCHEMBL30533962 0.80 HSD11B1 (0.35) HSD11B1ALDH1A1TRPV1
SCHEMBL25281606 0.80 HSD11B1 (0.35) HSD11B1ALDH1A1TRPV1
SCHEMBL30533961 0.80 HSD11B1 (0.35) HSD11B1ALDH1A1TRPV1
SCHEMBL25599429 0.75 HSD11B1 (0.38) HSD11B1ALDH1A1LMNARAB9AMAPT
SCHEMBL25222611 0.68 KCNH2 (0.36) HSD11B1ALDH1A1SMN1; SMN2MAPTTRPV1
SCHEMBL30533956 0.68 GAA (0.34) HSD11B1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL25221933 0.68 GAA (0.34) HSD11B1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL30464382 0.68 KCNH2 (0.36) HSD11B1ALDH1A1SMN1; SMN2MAPTTRPV1

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 HSD11B1 2253/4885ALDH1A1 4330/4885LMNA 1157/4885

“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.