SCHEMBL25219604

SCHEMBL25219604

Cn1c(N2C[C@H](O)C[C@@H](NC(=O)O)C2)nc2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 5/20 0.38
ACACB O00763 1/20 0.38
MCL1 Q07820 1/20 0.36
CHRM4 P08173 1/20 0.36
HDAC1 Q13547 4/20 0.34
HDAC8 Q9BY41 2/20 0.34
USP30 Q70CQ3 2/20 0.34
KRAS P01116 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL25680772 0.86 HRH4 (0.40) TP53RAB9AALDH1A1MAPTNPC1
SCHEMBL25674762 0.84 HDAC6 (0.41) ALDH1A1TSHRHDAC6HDAC1
SCHEMBL25263629 0.83 PKM (0.44) RAB9AALDH1A1MAPTNPC1MAPK1
SCHEMBL25220875 0.77 CHRM4 (0.34) RAB9AALDH1A1MAPTNPC1TSHR
SCHEMBL25680779 0.73 NPC1 (0.40) TP53RAB9AALDH1A1MAPTNPC1
SCHEMBL25599061 0.73 NPC1 (0.40) TP53RAB9AALDH1A1MAPTNPC1
SCHEMBL25220871 0.72 CHRM4 (0.33) RAB9AMAPTNPC1MAPK1HDAC6
SCHEMBL25220434 0.71 CHRM4 (0.35) ALDH1A1SMN1; SMN2CHRM4
SCHEMBL25674775 0.71 DRD2 (0.46) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL25268466 0.70 GRM1 (0.40) RAB9AALDH1A1MAPTTSHRHDAC6

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 TP53 172/4885RAB9A 3970/4885ALDH1A1 4330/4885

“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.