SCHEMBL6996472

SCHEMBL6996472

COc1cc(OC)c2c(Nc3ccc4[nH]ncc4c3)c(C#N)cnc2c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.64
RAF1 P04049 3/20 0.64
SRC P12931 5/20 0.48
EGFR P00533 5/20 0.48
ERBB2 P04626 5/20 0.48
ROCK2 O75116 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
ROCK1 Q13464 1/20 0.48
PRKG1 Q13976 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
RET P07949 1/20 0.48
KDR P35968 1/20 0.46
SYK P43405 1/20 0.45

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
SCHEMBL4454653 0.83 EGFR (0.71) MAP2K1SRCEGFRERBB2RET
SCHEMBL4449038 0.80 MAP2K1 (0.62) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL6994088 0.77 EGFR (0.51) MAP2K1SRCEGFRERBB2RET
SCHEMBL4451083 0.77 MAP2K1 (0.64) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4445202 0.75 SRC (0.48) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4443460 0.75 EGFR (0.71) MAP2K1SRCEGFRERBB2RET
SCHEMBL4447098 0.74 MAP2K1 (0.64) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL2984975 0.73 PRKCQ (0.78)
SCHEMBL2985945 0.72 PRKCQ (0.59) ROCK2ROCK1KDR
SCHEMBL4247140 0.72 PRKCQ (0.57)

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP claimed
US-20210228535-A1 SMALL MOLECULES AGAINST CANCER BIOKINE THERAPEUTICS LTD. (IL) 2021-07-29 US disclosed
US-20210228535-A1 SMALL MOLECULES AGAINST CANCER BIOKINE THERAPEUTICS LTD. (IL) 2021-07-29 US disclosed
US-10959979-B2 Small molecules against cancer BIOKINE THERAPEUTICS LTD. (IL) 2021-03-30 US disclosed
US-10959979-B2 Small molecules against cancer BIOKINE THERAPEUTICS LTD. (IL) 2021-03-30 US disclosed
US-20200268709-A1 SMALL MOLECULES AGAINST CANCER BIOKINE THERAPEUTICS LTD. (IL) 2020-08-27 US disclosed
US-20200268709-A1 SMALL MOLECULES AGAINST CANCER BIOKINE THERAPEUTICS LTD. (IL) 2020-08-27 US disclosed
US-10646465-B2 Small molecules against cancer BIOKINE THERAPEUTICS LTD. (IL) 2020-05-12 US disclosed
US-10646465-B2 Small molecules against cancer BIOKINE THERAPEUTICS LTD. (IL) 2020-05-12 US disclosed
US-20190240188-A1 SMALL MOLECULES AGAINST CANCER ALONBIO LTD. (IL) 2019-08-08 US disclosed
US-20190240188-A1 SMALL MOLECULES AGAINST CANCER ALONBIO LTD. (IL) 2019-08-08 US disclosed
WO-2017103931-A1 SMALL MOLECULES AGAINST CANCER BIOKINE THERAPEUTICS LTD. (IL) 2017-06-22 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 (5 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-10959979-B2 Small molecules against cancer CCL2, CXCR2, CCL5 MAP2K1 490/4885RAF1 185/4885SRC 290/4885
US-20210228535-A1 SMALL MOLECULES AGAINST CANCER CCL2, CXCR2, CCL5 MAP2K1 490/4885RAF1 185/4885SRC 290/4885
US-10646465-B2 Small molecules against cancer CCL2, CXCR2, CCL5 MAP2K1 490/4885RAF1 185/4885SRC 290/4885
US-20200268709-A1 SMALL MOLECULES AGAINST CANCER CCL2, CXCR2, CCL5 MAP2K1 490/4885RAF1 185/4885SRC 290/4885
US-20190240188-A1 SMALL MOLECULES AGAINST CANCER CCL2, CXCR2, CCL5 MAP2K1 490/4885RAF1 185/4885SRC 290/4885

“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.