SCHEMBL11295103

SCHEMBL11295103

Cc1cc(N(Cc2ccccc2)Cc2ccccc2)c(F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
NR3C1 P04150 11/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PGR P06401 2/20 0.37
NR3C2 P08235 2/20 0.37
AR P10275 2/20 0.37
CYP1A2 P05177 1/20 0.36
CETP P11597 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
SCHEMBL11299583 0.85 TSHR (0.38) CYP2C19NR3C1TSHRKDM4EALDH1A1
SCHEMBL30791443 0.82 TSPO (0.40) CYP2C19NR3C1TSHRNPC1RAB9A
SCHEMBL11291062 0.79 CYP2C19 (0.49) CYP2C19NR3C1NPC1RAB9AKDM4E
SCHEMBL18304949 0.77 CYP2C19 (0.39) CYP2C19NR3C1TSHRNPC1RAB9A
SCHEMBL12930943 0.76 TMEM97 (0.42) CYP2C19NR3C1TSHRNPC1KDM4E
SCHEMBL1907350 0.76 GBA1 (0.41) CYP2C19NR3C1TSHRNPC1KDM4E
SCHEMBL31623051 0.74 CYP2C19 (0.40) CYP2C19NR3C1TSHRNPC1RAB9A
SCHEMBL5002861 0.72 NR3C1 (0.47) CYP2C19NR3C1TSHRALDH1A1SMN1; SMN2
SCHEMBL11306515 0.72 ADRB1 (0.44)
SCHEMBL30977513 0.72 HTT (0.43) CYP2C19NR3C1KDM4ESMN1; SMN2CYP1A2

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
US-9212192-B2 Bicyclic carboxamide inhibitors of kinases ABBVIE INC. (US) 2015-12-15 US disclosed
US-20140194418-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES ABBVIE INC. (US) 2014-07-10 US disclosed
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-05 US disclosed
EP-2665727-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-11-27 EP disclosed
WO-2012097684-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 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-20140155389-A1 BICYCLIC INHIBITORS OF ALK ALK, ABL1, BOD1L1 CYP2C19 1263/4885NR3C1 1479/4885TSHR 3258/4885
US-20140194418-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES ALK, BRAF, BMX CYP2C19 1978/4885NR3C1 1974/4885TSHR 1119/4885

“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.