SCHEMBL1490976

SCHEMBL1490976

CS/C(=C\C#N)N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1490979 1.00 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL1490978 1.00 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL4657294 0.84 ALDH1A1 (0.37) KDM4EALDH1A1
SCHEMBL4657292 0.84 ALDH1A1 (0.37) KDM4EALDH1A1
SCHEMBL12303043 0.82 MAPT (0.43) KDM4EALDH1A1
SCHEMBL923731 0.82 MAPT (0.43) KDM4EALDH1A1
SCHEMBL923732 0.82 MAPT (0.43) KDM4EALDH1A1
SCHEMBL12697881 0.73 USP2 (0.44) ALDH1A1
SCHEMBL153561 0.71 ALDH1A1 (0.34) ALDH1A1
SCHEMBL153560 0.71 ALDH1A1 (0.34) ALDH1A1

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
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC (US) 2012-06-21 US disclosed
CN-102482283-A Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC 2012-05-30 CN disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 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-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDM4E 3835/4885ALDH1A1 1505/4885

“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.