SCHEMBL17857096

SCHEMBL17857096

C=CC(=O)Nc1cc(Nc2cc(N(C)C(=O)NCc3ccccc3)ncn2)ccc1N(C)CCN(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.55
FGFR4 P22455 2/20 0.49
BTK Q06187 1/20 0.49
FGFR1 P11362 2/20 0.46
FGFR2 P21802 1/20 0.46
FGFR3 P22607 1/20 0.46
JAK3 P52333 6/20 0.45
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
NUAK1 O60285 1/20 0.45
FLT3 P36888 1/20 0.45
CDK16 Q00536 1/20 0.45
CCNY Q8ND76 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
SCHEMBL17857097 0.90 FGFR4 (0.56) EGFRFGFR4FGFR1FGFR2FGFR3
SCHEMBL17856983 0.83 BTK (0.61) EGFRFGFR4BTKFGFR1FGFR2
SCHEMBL17857099 0.82 BTK (0.50) EGFRFGFR4BTKFGFR1
SCHEMBL17856993 0.81 FGFR4 (0.58) FGFR4BTKFGFR1FGFR2FGFR3
SCHEMBL17857086 0.78 EGFR (0.62) EGFRFGFR4FGFR1FGFR2FGFR3
SCHEMBL19440572 0.73 EGFR (0.60) EGFRFGFR4FGFR1FGFR2FGFR3
SCHEMBL19753754 0.73 EGFR (0.61) EGFR
SCHEMBL17856981 0.72 FGFR4 (0.62) EGFRFGFR4BTKFGFR1FGFR2
SCHEMBL21081491 0.72 FGFR4 (0.49) FGFR4FGFR1FGFR2FGFR3
SCHEMBL17857077 0.71 EGFR (0.45) EGFRFGFR4FGFR1

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 40/4885BTK 4/4885
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC EGFR 24/4885FGFR4 40/4885BTK 4/4885
US-10906878-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC EGFR 24/4885FGFR4 40/4885BTK 4/4885
US-10316002-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC EGFR 24/4885FGFR4 40/4885BTK 4/4885
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC EGFR 24/4885FGFR4 40/4885BTK 4/4885

“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.