SCHEMBL11028540

SCHEMBL11028540

Clc1cccc(CBr)c1.[Zn]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.58
TAAR1 Q96RJ0 3/20 0.54
CYP3A4 P08684 2/20 0.52
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
TSHR P16473 2/20 0.50
RECQL P46063 1/20 0.50
HTR3E A5X5Y0 3/20 0.48
HTR3B O95264 3/20 0.48
HTR3A P46098 3/20 0.48
HTR3D Q70Z44 3/20 0.48
HTR3C Q8WXA8 3/20 0.48
CHRM2 P08172 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PYCR1 P32322 1/20 0.46
AOC3 Q16853 1/20 0.46

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
SCHEMBL5733314 0.98 PNMT (0.60) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL2436 0.98
SCHEMBL29353832 0.98
SCHEMBL1001013 0.95 PNMT (0.58) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL10876787 0.89 PNMT (0.52) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL27599728 0.87 PNMT (0.50) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL10987297 0.85 TAAR1 (0.55) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL20815578 0.82 CYP3A4 (0.46) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL25840770 0.81 TSHR (0.65) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL10879362 0.80 SLC6A4 (0.46) PNMTCYP3A4IDO1AGXTALDH1A1

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-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
CN-103380117-A Picolinamide inhibitors of kinases ABBOTT LAB 2013-10-30 CN disclosed
CN-101657430-B Organic compounds and uses thereof NOVARTIS AG CH 2013-05-01 CN disclosed
WO-2012100135-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 WO disclosed
US-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 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 (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 PNMT 2443/4885TAAR1 1281/4885CYP3A4 3234/4885

“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.