SCHEMBL1285652

SCHEMBL1285652

Cc1cc(Oc2cc(Cl)ncn2)cc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
RAF1 P04049 3/20 0.33
MAPK3 P27361 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDR P35968 4/20 0.31
BRAF P15056 2/20 0.31

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
SCHEMBL1709133 0.86 POLB (0.34) HTTHSD17B10KDM4EHPGDPOLB
SCHEMBL1285773 0.84 HTT (0.40) HTTKDM4EHPGDRAF1ALDH1A1
SCHEMBL1285676 0.81 KDM4E (0.34) HTTHSD17B10KDM4EHPGDPOLB
SCHEMBL1286182 0.81 ALDH1A1 (0.33) KDM4EHPGDPOLBRAF1ALDH1A1
SCHEMBL1285670 0.79 SYK (0.37) HTTKDM4EHPGDPOLBMAPT
SCHEMBL1285887 0.78 PTGES (0.36) HPGDPOLBMAPTALDH1A1TSHR
SCHEMBL1285705 0.78 CACNA1H (0.39)
SCHEMBL13351385 0.77 PRKCZ (0.34) RAF1
SCHEMBL1286076 0.76 CACNA1H (0.41) ALDH1A1
SCHEMBL1285598 0.75 DRD1 (0.38) KDM4ERAF1MEN1KMT2APARP1

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 8 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
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-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US 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
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 US 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 HTT 2370/4885HSD17B10 2253/4885KDM4E 4588/4885

“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.