SCHEMBL6756372

SCHEMBL6756372

Fc1cc(Br)cc(F)c1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
NR3C1 P04150 4/20 0.40
KDM1A O60341 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CYP2C19 P33261 1/20 0.39
MGLL Q99685 1/20 0.39
BCHE P06276 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTT P42858 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL2886678 0.81 TSHR (0.40) GBA1TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL31632607 0.79 CYP2C19 (0.48) GBA1NR3C1TSHRALDH1A1CYP2C19
SCHEMBL12930943 0.79 TMEM97 (0.42) GBA1NR3C1TSHRALDH1A1KDM4E
SCHEMBL31623051 0.77 CYP2C19 (0.40) GBA1NR3C1TSHRALDH1A1KDM4E
SCHEMBL1907350 0.75 GBA1 (0.41) GBA1NR3C1TSHRALDH1A1KDM4E
SCHEMBL28496421 0.75 CYP2C19 (0.52) GBA1NR3C1TSHRALDH1A1SMN1; SMN2
SCHEMBL12982419 0.73 CYP2C19 (0.50) NR3C1TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL1859320 0.72 CRHBP (0.54) NR3C1TSHRSMN1; SMN2NR1H2NR1H3
SCHEMBL11296484 0.72 SIGMAR1 (0.49) SIGMAR1
SCHEMBL11299583 0.71 TSHR (0.38) GBA1NR3C1TSHRALDH1A1KDM4E

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 6 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
US-20130131013-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2013-05-23 US disclosed
US-6716491-B2 BASED ON MIXTURE OF POLAR COMPOUNDS OF POSITIVE DIELECTRIC ANISOTROPY; FOR USE IN MATRIX LIQUID CRYSTAL AND TWISTED/SUPERTWISTED NEMATIC CELLS MERCK PATENT GMBH (DE) 2004-04-06 US disclosed
US-20020030180-A1 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2002-03-14 US 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 GBA1 138/4885NR3C1 1479/4885KDM1A 263/4885
US-20140194418-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES ALK, BRAF, BMX GBA1 962/4885NR3C1 1974/4885KDM1A 602/4885

“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.