SCHEMBL5851925

SCHEMBL5851925

CSc1ccc(-c2ccc3c(c2)C(C)(C)C(C)=N3)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.34
CCNE2 O96020 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A3 P47895 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
PTGS2 P35354 2/20 0.31
NISCH Q9Y2I1 1/20 0.31
RXRA P19793 1/20 0.31

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
SCHEMBL11839777 0.87 MEN1 (0.37) MEN1KMT2ARXRA
SCHEMBL5850640 0.83 MEN1 (0.37) CCNE2CDK2CCND3CDK6MEN1
SCHEMBL3910718 0.82 MEN1 (0.42) CCNE2CDK2CCND3CDK6MEN1
SCHEMBL38661507 0.82 MEN1 (0.42) CCNE2CDK2CCND3CDK6MEN1
SCHEMBL5850008 0.82 MEN1 (0.42) CCNE2CDK2CCND3CDK6MEN1
SCHEMBL13223607 0.81 CCNE2 (0.37) CCNE2CDK2CCND3CDK6MEN1
SCHEMBL13223606 0.81 MEN1 (0.35) CCNE2CDK2CCND3CDK6MEN1
SCHEMBL5851896 0.79 CCNE2 (0.38) CCNE2CDK2CCND3CDK6MEN1
SCHEMBL5850324 0.75 MEN1 (0.50) MEN1KMT2A
SCHEMBL5851723 0.74 KCNH2 (0.44)

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
US-7056348-B2 5-aryl-1,3,3-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibers WELLA AG (DE) 2006-06-06 US disclosed
US-20030213071-A1 5-Aryl-1.3.3.-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibres Wella GmbH (DE) 2003-11-20 US disclosed
EP-1280773-A1 5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES Wella Aktiengesellschaft (DE) 2003-02-05 EP disclosed
WO-2002085854-A1 5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-10-31 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-20030213071-A1 5-Aryl-1.3.3.-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibres INMT, KRT18, IPO5 ADORA3 1686/4885CCNE2 1565/4885CDK2 429/4885

“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.