SCHEMBL17857076

SCHEMBL17857076

COc1cc(N(C)CCN(C)C)c(NC(=O)/C(C#N)=C/C2CC2)cc1Nc1cc(N(C)C(=O)Nc2ccccc2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.44
FGFR4 P22455 8/20 0.42
FGFR1 P11362 5/20 0.41
ALK Q9UM73 2/20 0.41
FGFR3 P22607 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
FGFR2 P21802 1/20 0.41
EML4 Q9HC35 1/20 0.41

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
SCHEMBL17857077 0.91 EGFR (0.45) EGFRFGFR4FGFR1ALKEML4
SCHEMBL17857146 0.89 EGFR (0.50) EGFRALKEML4
SCHEMBL17857086 0.83 EGFR (0.62) EGFRFGFR4FGFR1ALKFGFR3
SCHEMBL17857078 0.82 EGFR (0.43) EGFRFGFR4FGFR1FGFR3CYP3A4
SCHEMBL17857080 0.79 EGFR (0.49) EGFRALKEML4
SCHEMBL17857081 0.78 EGFR (0.48) EGFRALKEML4
SCHEMBL17857079 0.77 BTK (0.45) EGFRFGFR1FGFR3CYP3A4CYP2C19
SCHEMBL19753755 0.76 EGFR (0.41) EGFRFGFR1FGFR3CYP3A4CYP2C19
SCHEMBL19440572 0.73 EGFR (0.60) EGFRFGFR4FGFR1ALKFGFR3
SCHEMBL19753754 0.72 EGFR (0.61) EGFRALKEML4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906878-B2 Kinase inhibitors for the treatment of disease DANA FARBER CANCER INSTITUTE, INC. (US) 2021-02-02 US disclosed
US-20190256475-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE DANA-FARBER CANCER INSTITUTE, INC. 2019-08-22 US disclosed
US-10316002-B2 Kinase inhibitors for the treatment of disease DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-11 US disclosed
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE DANA-FARBER CANCER INSTITUTE, INC. 2017-12-28 US disclosed
US-9783504-B2 Kinase inhibitors for the treatment of disease DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-10 US disclosed
US-9783504-B2 Kinase inhibitors for the treatment of disease DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-10 US disclosed
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-23 US disclosed
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-23 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 (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-20190256475-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC EGFR 24/4885FGFR4 40/4885FGFR1 27/4885
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC EGFR 24/4885FGFR4 40/4885FGFR1 27/4885
US-10906878-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC EGFR 24/4885FGFR4 40/4885FGFR1 27/4885
US-10316002-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC EGFR 24/4885FGFR4 40/4885FGFR1 27/4885
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC EGFR 24/4885FGFR4 40/4885FGFR1 27/4885

“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.