SCHEMBL1084583

SCHEMBL1084583

COc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.65
NCS1 P62166 1/20 0.60
KMT2A Q03164 1/20 0.56
TAS2R14 Q9NYV8 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
AVPR2 P30518 1/20 0.53
GPR27 Q9NS67 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GRIK1 P39086 1/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.53
KCNK3 O14649 2/20 0.52
KCNK9 Q9NPC2 2/20 0.52
KCNMA1 Q12791 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL939648 0.94 RXFP1 (0.59) RXFP1NCS1KMT2ATAS2R14KDM4E
SCHEMBL939649 0.90 RXFP1 (0.68) RXFP1NCS1KDM4EHPGDGAA
SCHEMBL1084999 0.89 RXFP1 (0.64) RXFP1NCS1KDM4EHPGDAVPR2
SCHEMBL937307 0.88 RXFP1 (0.52) RXFP1NCS1KMT2ATAS2R14KDM4E
SCHEMBL12912325 0.83 KCNMA1 (0.73) KMT2AKDM4EGAAMAPTTSHR
SCHEMBL11789635 0.82 KCNK3 (0.68) RXFP1KMT2AKDM4EGAAMAPT
SCHEMBL27848838 0.81 KMT2A (0.77) RXFP1KMT2AGAAMAPTTSHR
SCHEMBL1308706 0.81 KCNMA1 (0.74) KMT2AKDM4EHPGDGAAMAPT
SCHEMBL11798005 0.81 KMT2A (0.60) KMT2AKDM4EGAAMAPTTSHR
SCHEMBL2271934 0.81 ACLY (0.64) KMT2AKDM4EGAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 US disclosed
US-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
EP-1608632-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-12-30 EP disclosed
WO-2004078733-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-16 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 (2 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-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS KCNN3, KCNN2, CACNA1I RXFP1 3120/4885NCS1 121/4885KMT2A 2608/4885
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS KCNN3, CACNA1I, CACNA1B RXFP1 3493/4885NCS1 114/4885KMT2A 2614/4885

“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.