SCHEMBL646742

SCHEMBL646742

Cc1cnc2[nH]c3c(CCS)ncc(-c4cccc(NC(=O)C5CC5)c4)c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.42
STK16 O75716 2/20 0.42
BMP2K Q9NSY1 2/20 0.42
BTK Q06187 2/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
EPHB6 O15197 1/20 0.42
RPS6KA4 O75676 1/20 0.42
STK10 O94804 1/20 0.42
EGFR P00533 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
YES1 P07947 1/20 0.42
LYN P07948 1/20 0.42
RET P07949 1/20 0.42
HCK P08631 1/20 0.42
PDGFRB P09619 1/20 0.42
BCR P11274 1/20 0.42

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
SCHEMBL2612673 0.84 STK16 (0.43) ABL1STK16BMP2KBTKPLK4
SCHEMBL13594906 0.83 STK16 (0.45) ABL1STK16BMP2KBTKPLK4
SCHEMBL644214 0.81 KIT (0.44) ABL1STK16BMP2KBTKPLK4
SCHEMBL644600 0.79 KDR (0.44) ABL1STK16BMP2KBTKPLK4
SCHEMBL645336 0.79 GAK (0.43) ABL1STK16BMP2KBTKPLK4
SCHEMBL647221 0.78 STK16 (0.53) ABL1STK16BMP2KBTKPLK4
SCHEMBL646435 0.77 PLK4 (0.55) ABL1STK16BMP2KBTKPLK4
SCHEMBL645758 0.76 ABL1 (0.48) ABL1STK16BMP2KBTKPLK4
SCHEMBL647030 0.75 ABL1 (0.73) ABL1STK16BMP2KBTKPLK4
SCHEMBL647171 0.73 NPC1 (0.44) ABL1STK16BMP2KBTKPLK4

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 18 patents. 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
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US claimed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20120095233-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2012-04-19 US disclosed
US-8119655-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-21 US disclosed
US-20100331357-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-30 US disclosed
EP-2223925-A1 Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-09-01 EP disclosed
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100160633-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100120717-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
EP-2145878-A2 Aurora Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-01-20 EP disclosed
EP-2145877-A2 Aurora Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-01-20 EP disclosed
US-20090312288-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
EP-2133349-A1 Kinase inhibitors Takeda San Diego, Inc. (US) 2009-12-16 EP disclosed
EP-2081930-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-29 EP disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20100331357-A1 PHARMACEUTICAL COMPOSITION ABCG2, GYS2, CEL ABL1 3499/4885STK16 2159/4885BMP2K 4457/4885
US-20120095233-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 ABL1 27/4885STK16 197/4885BMP2K 106/4885
US-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 ABL1 27/4885STK16 176/4885BMP2K 192/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 ABL1 27/4885STK16 197/4885BMP2K 106/4885
US-20090312288-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 ABL1 27/4885STK16 197/4885BMP2K 106/4885
US-20100160633-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 ABL1 27/4885STK16 197/4885BMP2K 106/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 ABL1 27/4885STK16 176/4885BMP2K 192/4885
US-20100120717-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 ABL1 24/4885STK16 198/4885BMP2K 94/4885

“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.