SCHEMBL647221

SCHEMBL647221

Cc1cnc2[nH]c3c(C)c(C(=O)NCCN(C)C)cc(-c4cccc(NC(=O)C5CC5)c4)c3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK16 O75716 4/20 0.53
BMP2K Q9NSY1 4/20 0.53
FYN P06241 2/20 0.53
ABL1 P00519 2/20 0.53
PLK4 O00444 1/20 0.53
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
EPHB6 O15197 1/20 0.53
RPS6KA4 O75676 1/20 0.53
STK10 O94804 1/20 0.53
EGFR P00533 1/20 0.53
NTRK1 P04629 1/20 0.53
LCK P06239 1/20 0.53
YES1 P07947 1/20 0.53
LYN P07948 1/20 0.53
RET P07949 1/20 0.53
HCK P08631 1/20 0.53
PDGFRB P09619 1/20 0.53
BCR P11274 1/20 0.53
FGFR1 P11362 1/20 0.53

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
SCHEMBL644408 0.85 FYN (0.60) STK16BMP2KFYNABL1PLK4
SCHEMBL2620709 0.84 CHEK1 (0.52) STK16BMP2KFYNABL1PLK4
SCHEMBL647030 0.84 ABL1 (0.73) STK16BMP2KFYNABL1PLK4
SCHEMBL644980 0.82 MAP3K11 (0.68) STK16BMP2KFYNABL1PLK4
SCHEMBL644600 0.80 KDR (0.44) STK16BMP2KFYNABL1PLK4
SCHEMBL644444 0.79 ABL1 (0.68) STK16BMP2KFYNABL1PLK4
SCHEMBL13594906 0.78 STK16 (0.45) STK16BMP2KFYNABL1PLK4
SCHEMBL646742 0.78 ABL1 (0.42) STK16BMP2KFYNABL1PLK4
SCHEMBL2123951 0.77 AURKA (0.61) STK16BMP2KFYNABL1PLK4
SCHEMBL645139 0.77 RAD52 (0.42) STK16BMP2KFYNABL1PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145877-B1 Aurora Kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2012-10-03 EP claimed
US-8119655-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-21 US claimed
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US claimed
EP-2145877-A2 Aurora Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-01-20 EP claimed
EP-2081930-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-29 EP claimed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US claimed
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP claimed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO 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-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 (4 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 STK16 176/4885BMP2K 192/4885FYN 367/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 STK16 197/4885BMP2K 106/4885FYN 362/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 STK16 176/4885BMP2K 192/4885FYN 367/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 STK16 197/4885BMP2K 106/4885FYN 362/4885

“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.