SCHEMBL4850349

SCHEMBL4850349

Cc1ccc(C(=O)CC#N)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
HSD11B1 P28845 1/20 0.49
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
NFE2L2 Q16236 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL7572263 0.86 MEN1 (0.57) KCNH2MEN1KMT2AMAPTCYP1A2
SCHEMBL12694463 0.84 MEN1 (0.44) KCNH2MEN1KMT2AMAPTCYP1A2
SCHEMBL5010636 0.83 MAPT (0.46) KCNH2MEN1KMT2AMAPTCYP1A2
SCHEMBL17088578 0.83 KCNH2 (0.48) KCNH2MEN1KMT2AMAPTCYP1A2
SCHEMBL29405913 0.83 MAPT (0.46) KCNH2MEN1KMT2AMAPTCYP1A2
SCHEMBL5306178 0.83 KCNH2 (0.52) KCNH2MEN1KMT2AMAPTCYP1A2
SCHEMBL138885 0.80 IDO1 (0.50) KCNH2MEN1KMT2AMAPTCYP1A2
SCHEMBL21783120 0.79 CYP1A2 (0.46) KCNH2MEN1KMT2AMAPTCYP1A2
SCHEMBL741169 0.78 KMT2A (0.54) KCNH2MEN1KMT2AMAPTCYP1A2
SCHEMBL135383 0.77 GSK3B (0.55) KCNH2MEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393870-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-07-01 US disclosed
US-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-04-06 US disclosed
US-7005444-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-02-28 US disclosed
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-07-10 US disclosed
US-6559173-B1 organic molecules capable of modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. ALLERGAN, INC. 2003-05-06 US disclosed
WO-2003026650-A1 3-(HETEROARYLAMINO)METHYLENE-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed
US-6245942-B1 CONTACTING COMPOSITION CONTAINING ONE OR MORE FATTY ACIDS WITH CATALYTIC AMOUNT OF CATALYST AND ACTIVE METHYLENE COMPOUND EFFECTIVE TO LOWER CARBONYL VALUE OF COMPOSITION. HENKEL CORPORATION 2001-06-12 US disclosed
WO-2000050374-A1 REDUCTION OF THE CARBONYL VALUE OF CARBOXYLIC ACIDS AND DERIVATIVES OF CARBOXYLIC ACIDS COGNIS CORPORATION (US) 2000-08-31 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 (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-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 KCNH2 2765/4885HSD11B1 3185/4885MEN1 2681/4885
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 KCNH2 2765/4885HSD11B1 3185/4885MEN1 2681/4885

“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.