SCHEMBL11031399

SCHEMBL11031399

Cc1cccc(CBr)c1.[Zn]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
IDO1 P14902 2/20 0.52
ACHE P22303 3/20 0.50
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
TRPA1 O75762 1/20 0.46
TSHR P16473 1/20 0.46
MAOB P27338 2/20 0.46
HRH3 Q9Y5N1 1/20 0.44
CTBP2 P56545 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL177507 0.98
SCHEMBL30589449 0.98
SCHEMBL7274625 0.95 TAAR1 (0.54) TAAR1IDO1ACHEALDH1A1MAPK1
Methoxymethane SCHEMBL27460723 0.91 IDO1 (0.53) TAAR1IDO1ACHEALDH1A1MAPK1
Trimethylammonium SCHEMBL6257520 0.91 TAAR1 (0.50) TAAR1IDO1ACHEALDH1A1MAPK1
SCHEMBL10879486 0.89 TAAR1 (0.48) TAAR1IDO1ACHEALDH1A1MAPK1
SCHEMBL2935079 0.85 CYP4F2 (0.46) TAAR1IDO1ACHEALDH1A1MAPK1
SCHEMBL2646995 0.82 ALDH1A1 (0.45) TAAR1IDO1ACHEALDH1A1TRPA1
SCHEMBL20398408 0.82
SCHEMBL10877262 0.80 ALDH1A1 (0.53) IDO1ACHEALDH1A1TSHRMAOB

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
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 TAAR1 1281/4885IDO1 2470/4885ACHE 3877/4885

“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.