SCHEMBL644800

SCHEMBL644800

Cc1cnc2[nH]c3c(C)c(C(=O)NC4CCN(C)CC4)cc(Cl)c3c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.67
CHEK1 O14757 2/20 0.66
AURKA O14965 2/20 0.66
ABL1 P00519 2/20 0.66
EGFR P00533 2/20 0.66
LCK P06239 2/20 0.66
FGFR1 P11362 2/20 0.66
CSNK2A2 P19784 2/20 0.66
GSK3B P49841 2/20 0.66
BTK Q06187 2/20 0.66
PLK4 O00444 1/20 0.66
EPHB6 O15197 1/20 0.66
RPS6KA4 O75676 1/20 0.66
STK16 O75716 1/20 0.66
STK10 O94804 1/20 0.66
NTRK1 P04629 1/20 0.66
FYN P06241 1/20 0.66
YES1 P07947 1/20 0.66
LYN P07948 1/20 0.66
RET P07949 1/20 0.66

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
SCHEMBL4418180 0.83 NUAK1 (0.62) NUAK1CHEK1AURKAABL1EGFR
SCHEMBL2620584 0.83 FLT3 (0.78) NUAK1CHEK1AURKAABL1EGFR
SCHEMBL645163 0.83 ACVR1 (0.78) NUAK1CHEK1AURKAABL1EGFR
SCHEMBL13666229 0.80 NUAK1 (0.64) NUAK1CHEK1AURKAABL1EGFR
SCHEMBL13283255 0.80 FLT3 (0.74) NUAK1CHEK1AURKAABL1EGFR
Tak-901 SCHEMBL29389353 0.80 FLT3 (1.00) NUAK1CHEK1AURKAABL1EGFR
Tak-901 SCHEMBL29551559 0.80 FLT3 (1.00) NUAK1CHEK1AURKAABL1EGFR
Tak-901 SCHEMBL645679 0.80 FLT3 (1.00) NUAK1CHEK1AURKAABL1EGFR
Tak-901 SCHEMBL29478939 0.80 FLT3 (1.00) NUAK1CHEK1AURKAABL1EGFR
SCHEMBL23289019 0.80 CDK9 (0.77) NUAK1CHEK1AURKAABL1EGFR

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 58 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-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
EP-2145877-B1 Aurora Kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2012-10-03 EP 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 NUAK1 258/4885CHEK1 57/4885AURKA 174/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 NUAK1 258/4885CHEK1 57/4885AURKA 174/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 NUAK1 229/4885CHEK1 52/4885AURKA 220/4885

“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.