SCHEMBL644522

SCHEMBL644522

Cc1cnc2[nH]c3c(C)c(C(=O)NC4CCN(C)CC4)cc(-c4cccc(S(=O)(=O)C5CC5)c4)c3c2c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.85
RPS6KA3 P51812 2/20 0.85
PRKAA1 Q13131 2/20 0.85
STK3 Q13188 2/20 0.85
MELK Q14680 2/20 0.85
AURKB Q96GD4 2/20 0.85
SLK Q9H2G2 2/20 0.85
PLK4 O00444 1/20 0.85
CHEK1 O14757 1/20 0.85
AURKA O14965 1/20 0.85
EPHB6 O15197 1/20 0.85
RPS6KA4 O75676 1/20 0.85
STK16 O75716 1/20 0.85
STK10 O94804 1/20 0.85
ABL1 P00519 1/20 0.85
EGFR P00533 1/20 0.85
NTRK1 P04629 1/20 0.85
LCK P06239 1/20 0.85
FYN P06241 1/20 0.85
YES1 P07947 1/20 0.85

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
SCHEMBL2123719 0.93 PLK4 (0.73) FLT3RPS6KA3PRKAA1STK3MELK
SCHEMBL13814306 0.93 FLT3 (0.73) FLT3RPS6KA3PRKAA1STK3MELK
SCHEMBL2124234 0.93 AURKA (0.73) FLT3RPS6KA3PRKAA1STK3MELK
SCHEMBL2122506 0.92 TGFBR1 (0.75) FLT3RPS6KA3PRKAA1STK3MELK
Tak-901 SCHEMBL29551559 0.92 FLT3 (1.00) FLT3RPS6KA3PRKAA1STK3MELK
Tak-901 SCHEMBL29389353 0.92 FLT3 (1.00) FLT3RPS6KA3PRKAA1STK3MELK
Tak-901 SCHEMBL29478939 0.92 FLT3 (1.00) FLT3RPS6KA3PRKAA1STK3MELK
Tak-901 SCHEMBL645679 0.92 FLT3 (1.00) FLT3RPS6KA3PRKAA1STK3MELK
Tak-901 SCHEMBL2123148 0.91 FLT3 (0.98) FLT3RPS6KA3PRKAA1STK3MELK
Tak-901 SCHEMBL646980 0.91 FLT3 (0.98) FLT3RPS6KA3PRKAA1STK3MELK

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 53 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-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
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

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 FLT3 209/4885RPS6KA3 72/4885PRKAA1 109/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 FLT3 170/4885RPS6KA3 83/4885PRKAA1 60/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 FLT3 209/4885RPS6KA3 72/4885PRKAA1 109/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 FLT3 170/4885RPS6KA3 83/4885PRKAA1 60/4885

“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.