SCHEMBL1477960

SCHEMBL1477960

COc1cccc2c1C(=N)NC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
TOP1 P11387 1/20 0.50
KCNA5 P22460 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CASP3 P42574 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
DUSP3 P51452 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
APAF1 O14727 1/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
EGFR P00533 1/20 0.45

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
SCHEMBL7830178 0.84 CA1 (0.46) CA1CA2CA7CA9TOP1
SCHEMBL29378366 0.84 TOP1 (0.55) CA1CA2CA7CA9TOP1
SCHEMBL384815 0.84 TOP1 (0.55) CA1CA2CA7CA9TOP1
SCHEMBL30823793 0.75 CA2 (0.45) CA2KMT2AALDH1A1MAPTHTT
SCHEMBL12896658 0.74 RET (0.54) CA1CA2CA7CA9TOP1
SCHEMBL11260054 0.73 CES1 (0.47) CASP3ALDH1A1KDM4EGSK3BSTK10
SCHEMBL262473 0.72 GSK3B (0.50) KCNA5MEN1KMT2ACASP3ALDH1A1
SCHEMBL3417492 0.71 EGFR (0.76) CA1CA2CA7CA9TOP1
SCHEMBL28575370 0.71 MEN1 (0.72) CA1CA2CA7CA9TOP1
SCHEMBL3226085 0.71 CA2 (0.45) CA1CA2CA7CA9MEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
EP-1922311-A2 ACYCLIC IKUR INHIBITORS Brystol-Myers Squibb Company (US) 2008-05-21 EP disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 WO disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 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 (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-20070082909-A1 Acyclic Ikur inhibitors KCNH2, KCNJ2, KCNH3 CA1 3834/4885CA2 1697/4885CA7 4133/4885
US-20120094983-A1 ACYCLIC IKUR INHIBITORS KCNH2, KCNJ2, KCNH3 CA1 3834/4885CA2 1697/4885CA7 4133/4885

“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.