SCHEMBL9930971

SCHEMBL9930971

CCCS(=O)(=O)Nc1cccc(C(N)=O)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.46
BRAF P15056 6/20 0.45
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
PARP14 Q460N5 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
KCNK3 O14649 1/20 0.38

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
SCHEMBL1490973 0.82 KCNA5 (0.59) KCNA5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1492006 0.81 BRAF (0.47) KCNA5BRAFSLC22A12PARP14BRD4
SCHEMBL9930242 0.80 BRAF (0.53) KCNA5BRAFKDM4EALDH1A1HPGD
SCHEMBL9931267 0.80 ALDH1A1 (0.50) KCNA5BRAFKDM4EALDH1A1HPGD
SCHEMBL5516052 0.80 BRAF (0.51) KCNA5BRAFSLC22A12PARP14TP53
SCHEMBL22831994 0.79 BRAF (0.47) KCNA5BRAFSLC22A12PARP14TP53
SCHEMBL29562253 0.79 BRAF (0.47) KCNA5BRAFSLC22A12PARP14TP53
SCHEMBL12075936 0.78 BRAF (0.45) BRAFSLC22A12
SCHEMBL12076022 0.78 CYP3A4 (0.48) BRAF
SCHEMBL8516272 0.76 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10

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-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US claimed
EP-2493889-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-09-05 EP claimed
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
EP-2493889-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-09-05 EP disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 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 (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-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KCNA5 4628/4885BRAF 1/4885KDM4E 3645/4885
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KCNA5 4628/4885BRAF 1/4885KDM4E 3645/4885

“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.