SCHEMBL17857078

SCHEMBL17857078

COc1cc(N(C)CCN(C)C)ccc1Nc1cc(N(C(=O)Nc2ccccc2)c2cccc(NC(=O)/C(C#N)=C\C3CC3)c2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.43
BTK Q06187 4/20 0.42
FGFR1 P11362 3/20 0.39
JAK3 P52333 1/20 0.38
FGFR4 P22455 2/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 2/20 0.35
FGFR3 P22607 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL17857079 0.93 BTK (0.45) EGFRBTKFGFR1JAK3POLB
SCHEMBL19753755 0.91 EGFR (0.41) EGFRBTKFGFR1JAK3POLB
SCHEMBL17857076 0.82 EGFR (0.44) EGFRFGFR1FGFR4CYP3A4FGFR3
SCHEMBL21081539 0.81 BTK (0.42) EGFRBTKFGFR1JAK3FGFR4
SCHEMBL17857083 0.80 EGFR (0.49) EGFRBTKJAK3
SCHEMBL17857085 0.79 EGFR (0.48) EGFRBTKJAK3
SCHEMBL17857077 0.76 EGFR (0.45) EGFRFGFR1FGFR4
SCHEMBL17857146 0.73 EGFR (0.50) EGFR
SCHEMBL17857090 0.72 EGFR (0.48) EGFRBTKFGFR1JAK3FGFR4
SCHEMBL17837341 0.69 BTK (0.79) EGFRBTKFGFR1JAK3

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 24/4885BTK 4/4885FGFR1 27/4885
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC EGFR 24/4885BTK 4/4885FGFR1 27/4885
US-10906878-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC EGFR 24/4885BTK 4/4885FGFR1 27/4885
US-10316002-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC EGFR 24/4885BTK 4/4885FGFR1 27/4885
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC EGFR 24/4885BTK 4/4885FGFR1 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.