SCHEMBL646586

SCHEMBL646586

CCSc1cccc(-c2ccc(OCC3CCN(C)CC3)c3[nH]c4ncc(C)cc4c23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.47
CDK9 P50750 4/20 0.47
ABL1 P00519 2/20 0.47
SRC P12931 2/20 0.47
ABL2 P42684 2/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
EPHB6 O15197 1/20 0.47
RPS6KA4 O75676 1/20 0.47
STK16 O75716 1/20 0.47
STK10 O94804 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
YES1 P07947 1/20 0.47
LYN P07948 1/20 0.47
RET P07949 1/20 0.47
HCK P08631 1/20 0.47
PDGFRB P09619 1/20 0.47

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
SCHEMBL13156798 0.90 MELK (0.39) EGFRCDK9ABL1SRCABL2
SCHEMBL645827 0.88 EGFR (0.48) EGFRCDK9ABL1SRCABL2
SCHEMBL13330191 0.87 IRAK4 (0.38) EGFRCDK9ABL1SRCABL2
SCHEMBL646457 0.86 EGFR (0.65) EGFRCDK9ABL1SRCABL2
Hydrochloric Acid SCHEMBL644118 0.85 EGFR (0.64) EGFRCDK9ABL1SRCABL2
SCHEMBL14547462 0.85 CDK9 (0.45) EGFRCDK9ABL1SRCABL2
SCHEMBL3889817 0.85 ACVR1 (0.55) EGFRCDK9ABL1SRCABL2
SCHEMBL645298 0.83 EGFR (0.54) EGFRCDK9ABL1SRCABL2
SCHEMBL647175 0.83 EGFR (0.54) EGFRCDK9ABL1SRCABL2
SCHEMBL644803 0.83 EGFR (0.54) EGFRCDK9ABL1SRCABL2

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US claimed
EP-2145878-A2 Aurora Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-01-20 EP claimed
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP claimed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US claimed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO claimed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
WO-2008054956-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-05-08 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO disclosed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 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 (3 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-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 EGFR 349/4885CDK9 78/4885ABL1 27/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 EGFR 349/4885CDK9 78/4885ABL1 27/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 EGFR 378/4885CDK9 99/4885ABL1 27/4885

“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.