SCHEMBL12875464

SCHEMBL12875464

Cc1c(C(=O)O)cnn1-c1nc(-c2cccs2)cs1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
UBE2M P61081 4/20 0.48
DCUN1D1 Q96GG9 4/20 0.48
PTGER4 P35408 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.45
PTGER1 P34995 1/20 0.44
MAPK1 P28482 1/20 0.44
SPR P35270 2/20 0.44

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
SCHEMBL12875465 0.84 RAB9A (0.63) KDM4EPTGER4MEN1KMT2AALDH1A1
SCHEMBL1199346 0.83 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL12875525 0.82 MEN1 (0.52) KDM4EPTGER4MEN1KMT2AALDH1A1
SCHEMBL14196468 0.82 RAB9A (0.60) KDM4EPTGER4MEN1KMT2AALDH1A1
SCHEMBL14224567 0.81 PTGER4 (0.51) KDM4EPTGER4MEN1KMT2AALDH1A1
SCHEMBL6255206 0.81 RAB9A (0.58) KDM4EPTGER4MEN1KMT2AALDH1A1
SCHEMBL12875489 0.79 KDM4E (0.60) KDM4EPTGER4MEN1KMT2AALDH1A1
SCHEMBL12875471 0.79 RAB9A (0.72) KDM4EPTGER4MEN1KMT2AALDH1A1
SCHEMBL12875498 0.79 RAB9A (0.71) KDM4EPTGER4MEN1KMT2AALDH1A1
SCHEMBL4823256 0.78 KDM4E (0.65) KDM4EPTGER4MEN1KMT2AALDH1A1

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A KDM4E 1877/4885UBE2M 4764/4885DCUN1D1 3392/4885

“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.