SCHEMBL1285676

SCHEMBL1285676

Cc1cc(Oc2cc(Cl)ncn2)cc2nc(C(F)(F)F)[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
RAF1 P04049 3/20 0.33
MAPK3 P27361 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDR P35968 4/20 0.31
BRAF P15056 2/20 0.31
MAPK14 Q16539 1/20 0.30
TNNI3K Q59H18 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL1285652 0.81 HTT (0.36) KDM4EMAPTHPGDPOLBRAF1
SCHEMBL1285450 0.74 KMO (0.36) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL1285522 0.74 FASN (0.34) RAF1KDR
SCHEMBL1285889 0.73 FASN (0.33) RAF1
SCHEMBL1285906 0.72 KDM4E (0.35) KDM4ERAF1
SCHEMBL1285542 0.70 PDE3B (0.34) KDM4ERAF1ALDH1A1
SCHEMBL1285784 0.70 SYK (0.35) KDM4ERAF1ALDH1A1LMNA
SCHEMBL1285670 0.70 SYK (0.37) KDM4EMAPTHPGDPOLBRAF1
SCHEMBL1285773 0.69 HTT (0.40) KDM4EHPGDRAF1HTTALDH1A1
SCHEMBL1709133 0.67 POLB (0.34) KDM4EMAPTHPGDPOLBRAF1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379529-B1 CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 US disclosed
EP-2379529-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
WO-2010070022-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 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-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 KDM4E 4588/4885MAPT 47/4885HPGD 2020/4885

“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.