SCHEMBL11031320

SCHEMBL11031320

COc1ccc(CBr)cc1.[Zn]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
AGXT P21549 2/20 0.52
LTA4H P09960 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
SLC6A4 P31645 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CALM1 P0DP23 1/20 0.47

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
SCHEMBL2883 0.97 IDO1 (0.58) IDO1CA12CA1CA2CA7
SCHEMBL28654739 0.97 IDO1 (0.58) IDO1CA12CA1CA2CA7
SCHEMBL2008544 0.95 IDO1 (0.56) IDO1CA12CA1CA2CA7
SCHEMBL28206910 0.95 IDO1 (0.56) IDO1CA12CA1CA2CA7
Phosphine SCHEMBL16335472 0.95 IDO1 (0.56) IDO1CA12CA1CA2CA7
SCHEMBL8025061 0.91 LTA4H (0.54) IDO1CA12CA1CA2CA7
SCHEMBL11456233 0.91 LTA4H (0.65) IDO1CA12CA1CA2CA7
Methylene Chloride SCHEMBL27753884 0.91 IDO1 (0.52) IDO1CA12CA1CA2CA7
SCHEMBL3236630 0.91 MAOB (0.59) IDO1CA12CA1CA2CA7
Benzyl Bromide SCHEMBL10545816 0.89 LTA4H (0.69) IDO1CA12CA1CA2CA7

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 5 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
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 IDO1 2470/4885CA12 3023/4885CA1 2076/4885

“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.