SCHEMBL15930207

SCHEMBL15930207

CC(C)(C)c1cc2cc[nH]c2nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 5/20 0.36
AXL P30530 2/20 0.36
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
NUDT1 P36639 2/20 0.34
RIPK1 Q13546 2/20 0.34
FEN1 P39748 3/20 0.34
ALOX5AP P20292 2/20 0.34
KDR P35968 2/20 0.33
BRD4 O60885 2/20 0.33
FGFR1 P11362 1/20 0.33
CCR4 P51679 1/20 0.33
PLK4 O00444 1/20 0.32
DCLK1 O15075 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32

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
SCHEMBL14438043 0.74 ADORA2A (0.40) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL11986934 0.72 AXL (0.41) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL25613026 0.70 FEN1 (0.42) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL17388984 0.69 CDK8 (0.39) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL20674174 0.69 RIPK1 (0.44) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL1564616 0.69 AXL (0.39) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL30456972 0.69 AXL (0.39) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL24037318 0.69 CCR4 (0.33) BRD4CCR4
SCHEMBL21958557 0.69 KDR (0.36) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL18238981 0.69 CDK8 (0.37) CDK8AXLPIK3CAPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2021-11-18 US disclosed
US-9926333-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2018-03-27 US disclosed
US-20170327514-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 US disclosed
US-9732093-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 US disclosed
US-9732093-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 US disclosed
US-20150368270-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-24 US disclosed
US-20150252008-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-10 US disclosed
US-9073876-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-07 US disclosed
US-20140221310-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 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 (6 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-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use ERBB2, EGFR, ERBB3 CDK8 109/4885AXL 75/4885PIK3CA 24/4885
US-20170327514-A1 FLAP MODULATORS FEN1, PGF, TBXA2R CDK8 1875/4885AXL 4696/4885PIK3CA 283/4885
US-20140221310-A1 FLAP MODULATORS FEN1, PGF, PTGIS CDK8 1708/4885AXL 4711/4885PIK3CA 234/4885
US-20150368270-A1 FLAP MODULATORS FEN1, PGF, TBXA2R CDK8 1875/4885AXL 4696/4885PIK3CA 283/4885
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE ERBB2, EGFR, ERBB3 CDK8 109/4885AXL 78/4885PIK3CA 25/4885
US-20150252008-A1 FLAP MODULATORS FEN1, PGF, PTGIS CDK8 1708/4885AXL 4711/4885PIK3CA 234/4885

“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.