SCHEMBL25680779

SCHEMBL25680779

Cn1c(N2CCC[C@@H](O)C2)nc2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CHEK1 O14757 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38

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
SCHEMBL25599061 1.00 NPC1 (0.40) NPC1TP53ALOX15ALDH1A1MAPT
SCHEMBL25599107 0.85 KDM4E (0.42) NPC1TP53ALOX15ALDH1A1MAPT
SCHEMBL25599594 0.82 ALDH1A1 (0.47) NPC1TP53ALOX15ALDH1A1MAPT
SCHEMBL25599094 0.80 ALDH1A1 (0.52) NPC1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL25680772 0.77 HRH4 (0.40) NPC1TP53ALOX15ALDH1A1MAPT
SCHEMBL25599089 0.76 SMN1; SMN2 (0.43) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL25681606 0.76 SMN1; SMN2 (0.43) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL25219604 0.73 TP53 (0.38) NPC1TP53ALOX15ALDH1A1MAPT
SCHEMBL25268397 0.73 KMT2A (0.36) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL25217556 0.73 KMT2A (0.36) MAPTSMN1; SMN2MEN1KMT2A

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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 NPC1 3480/4885TP53 172/4885ALOX15 4320/4885

“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.