SCHEMBL645139

SCHEMBL645139

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 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
STK16 O75716 1/20 0.42
STK10 O94804 1/20 0.42
ABL1 P00519 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

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
SCHEMBL2620709 0.82 CHEK1 (0.52) RAD52HTTSMN1; SMN2PLK4CHEK1
SCHEMBL646603 0.80 AURKA (0.40) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL644980 0.80 MAP3K11 (0.68) RAD52HTTSMN1; SMN2PLK4CHEK1
SCHEMBL644408 0.78 FYN (0.60) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL647221 0.77 STK16 (0.53) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL644444 0.76 ABL1 (0.68) RAD52HTTPLK4CHEK1AURKA
SCHEMBL644800 0.75 NUAK1 (0.67) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL13155201 0.73 AURKA (0.53) CYP1A2HTTSMN1; SMN2PLK4CHEK1
SCHEMBL2122778 0.72 FGFR1 (0.67) RAD52PLK4CHEK1AURKAEPHB6
SCHEMBL644020 0.72 AURKA (0.68) CYP1A2HTTSMN1; SMN2PLK4CHEK1

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 57 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 RAD52 2739/4885CYP1A2 3551/4885HTT 4353/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 RAD52 2739/4885CYP1A2 3551/4885HTT 4353/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 RAD52 2849/4885CYP1A2 4036/4885HTT 3951/4885

“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.