SCHEMBL12876327

SCHEMBL12876327

Cc1c(C(=O)O)cnn1-c1nc(Cc2ccc(Cl)c(Cl)c2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CRHBP P24387 1/20 0.48
MC4R P32245 1/20 0.48
CRHR2 Q13324 1/20 0.48
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
PTGER4 P35408 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RNASEH1 O60930 1/20 0.38
SPR P35270 3/20 0.38
ABCB11 O95342 2/20 0.37
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
CCR1 P32246 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL12876310 0.88 MAPT (0.47) MEN1KMT2ACRHBPMC4RCRHR2
SCHEMBL1198785 0.85 MEN1 (0.68) MEN1KMT2ACRHBPMC4RCRHR2
SCHEMBL1198595 0.80 MEN1 (0.72) MEN1KMT2ACRHBPMC4RCRHR2
SCHEMBL1197608 0.78 KDM4E (0.60) MEN1KMT2ACRHBPMC4RCRHR2
SCHEMBL12875634 0.76 NPC1 (0.39) MEN1KMT2ACRHBPMC4RCRHR2
SCHEMBL12875630 0.76 MAPT (0.39) MEN1KMT2ACRHBPMC4RCRHR2
SCHEMBL12875646 0.75 TP53 (0.40) PTGER4NPC1RAB9ASPRKDM4E
SCHEMBL12875659 0.73 ITGB2 (0.40) MEN1KMT2APTGER4NPC1RAB9A
SCHEMBL12875665 0.73 ITGB2 (0.40) MEN1KMT2APTGER4NPC1RAB9A
SCHEMBL14196474 0.73 SPR (0.50) MEN1KMT2ACRHBPMC4RCRHR2

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 MEN1 2661/4885KMT2A 3197/4885CRHBP 3728/4885

“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.