SCHEMBL9967387

SCHEMBL9967387

CCOC(=O)c1cc(CN)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
ATF1 P18846 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 1/20 0.41
GPR35 Q9HC97 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
SCHEMBL1996172 0.86 CA12 (0.56) NOTUMCA12CA1CA2CA7
SCHEMBL16729317 0.85 NOTUM (0.47) NOTUMCA12CA1CA2CA7
SCHEMBL21711972 0.85 NOTUM (0.60) NOTUMCA12CA1CA2CA7
SCHEMBL3512178 0.84 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL28227669 0.84 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL2993344 0.82 NOTUM (0.43) NOTUMCA12CA1CA2CA9
SCHEMBL8544149 0.82 NPC1 (0.55) NOTUMCA12CA1CA2CA7
SCHEMBL671602 0.80 NOTUM (0.71) NOTUMCA12CA1CA2CA7
SCHEMBL13168235 0.80 CA12 (0.69) NOTUMCA12CA1CA2CA7
SCHEMBL4829568 0.80 CA12 (0.50) NOTUMCA12CA1CA2CA7

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-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK NOTUM 3800/4885CA12 4486/4885CA1 4653/4885

“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.