SCHEMBL11299583

SCHEMBL11299583

Fc1cc(N(Cc2ccccc2)Cc2ccccc2)c(F)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
NR3C1 P04150 10/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GBA1 P04062 1/20 0.35

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
SCHEMBL11295103 0.85 CYP2C19 (0.41) TSHRNR3C1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30977513 0.82 HTT (0.43) NR3C1KDM4ESMN1; SMN2CYP2C19HTT
SCHEMBL30977496 0.80 APLNR (0.40) TSHRNR3C1ALDH1A1SMN1; SMN2CYP2C19
SCHEMBL12930943 0.79 TMEM97 (0.42) TSHRNR3C1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1907350 0.79 GBA1 (0.41) TSHRNR3C1KDM4EALDH1A1SMN1; SMN2
SCHEMBL856088 0.79 NR3C1 (0.47) TSHRNR3C1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12982419 0.77 CYP2C19 (0.50) TSHRNR3C1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2586556 0.74 NR3C1 (0.46) TSHRNR3C1KDM4EALDH1A1CYP2C19
SCHEMBL26977567 0.73 SMN1; SMN2 (0.41) TSHRKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL15384643 0.72 NR3C1 (0.49) TSHRNR3C1KDM4EALDH1A1SMN1; SMN2

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 7 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-2665724-A1 BICYCLIC INHIBITORS OF ALK AbbVie Inc. (US) 2013-11-27 EP 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
WO-2012097682-A1 BICYCLIC INHIBITORS OF ALK 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 TSHR 3258/4885NR3C1 1479/4885KDM4E 838/4885
US-20140194418-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES ALK, BRAF, BMX TSHR 1119/4885NR3C1 1974/4885KDM4E 456/4885

“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.