SCHEMBL11029574

SCHEMBL11029574

Fc1cccc(F)c1CBr.[Zn]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
KDM4E B2RXH2 4/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
BACE1 P56817 1/20 0.33
DAO P14920 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TRPA1 O75762 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL121801 0.97 TAAR1 (0.43) TAAR1KDM4EGAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL29184016 0.94 TAAR1 (0.41) TAAR1KDM4EGAAALDH1A1SMN1; SMN2
Acetonitrile SCHEMBL16963780 0.84 KDM4E (0.38) TAAR1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL11030444 0.84 TAAR1 (0.59) TAAR1KDM4EGAASMN1; SMN2BACE1
SCHEMBL29386736 0.82 EED (0.41) TAAR1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL4243083 0.82 EED (0.41) TAAR1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL3304485 0.82 TAAR1 (0.38) TAAR1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL18984003 0.82 GABRA1 (0.46) TAAR1KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL19443767 0.80 TAAR1 (0.36) TAAR1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL15071663 0.80 ACHE (0.48) TAAR1KDM4EGAAALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859546-B2 Picolinamide inhibitors of kinases ABBVIE INC. (US) 2014-10-14 US disclosed
EP-2665711-A1 PICOLINAMIDE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-11-27 EP disclosed
US-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 US disclosed
WO-2012100135-A1 PICOLINAMIDE 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 (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-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ALK, PKN2, ERBB2 TAAR1 1281/4885KDM4E 1944/4885GAA 2009/4885

“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.