SCHEMBL4850442

SCHEMBL4850442

Cc1cc(C)cc(C(=O)CC#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.46
KCNH2 Q12809 4/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.38
THRB P10828 2/20 0.37
HCAR1 Q9BXC0 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCL1 Q07820 2/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
C1S P09871 1/20 0.35
PRSS3 P35030 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
SCHEMBL30951011 0.81 PARP1 (0.52) KCNH2KDM4EMAPTMEN1KMT2A
SCHEMBL135970 0.81 PARP1 (0.52) KCNH2KDM4EMAPTMEN1KMT2A
SCHEMBL28010208 0.80 ALDH1A1 (0.41) KCNH2CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL1857947 0.80 HCAR2 (0.55) KCNH2CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL135383 0.79 GSK3B (0.55) KCNH2ALDH1A1MAPTGAATHRB
SCHEMBL11346017 0.78 KCNH2 (0.43) KCNH2CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL1915774 0.76 KDM4E (0.46) CYP1A2CYP2C19KDM4EALDH1A1GAA
SCHEMBL1989864 0.75 CES2 (0.54) KCNH2CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL4945211 0.75 TPMT (0.46) TPMTKCNH2CYP1A2CYP3A4CYP2C19
SCHEMBL25992463 0.75 GSK3B (0.44) KCNH2CYP1A2CYP3A4CYP2C19KDM4E

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 6 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

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 TPMT 2315/4885KCNH2 2765/4885CYP1A2 3842/4885
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 TPMT 2315/4885KCNH2 2765/4885CYP1A2 3842/4885

“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.