SCHEMBL17857002

SCHEMBL17857002

C=CC(=O)N1CCC[C@H]1C(=O)Nc1cc2c(N(C)C(=O)Nc3ccccc3)ncnc2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.53
ERBB2 P04626 5/20 0.53
RAF1 P04049 2/20 0.53
FGFR2 P21802 2/20 0.53
FLT4 P35916 2/20 0.53
KDR P35968 2/20 0.53
TEK Q02763 2/20 0.53
ABL1 P00519 1/20 0.53
LCK P06239 1/20 0.53
RET P07949 1/20 0.53
SRC P12931 1/20 0.53
FLT1 P17948 1/20 0.52
CYP3A4 P08684 6/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 2/20 0.43
XIAP P98170 1/20 0.43
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ROCK2 O75116 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
SCHEMBL17837344 0.90 EGFR (0.53) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL17837345 0.90 EGFR (0.53) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL17857004 0.88 CYP3A4 (0.45) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL17857007 0.82 EGFR (0.55) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL17837349 0.81 MEN1 (0.51) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL16370416 0.77 MEN1 (0.48) EGFRCYP3A4CYP2C9CYP2C19XIAP
SCHEMBL17837337 0.77 MEN1 (0.48) EGFRCYP3A4CYP2C9CYP2C19XIAP
SCHEMBL2251197 0.75 EGFR (0.63) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL2249394 0.74 EGFR (0.73) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL2251912 0.73 EGFR (0.67) EGFRERBB2RAF1FGFR2FLT4

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 24/4885ERBB2 11/4885RAF1 121/4885
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC EGFR 24/4885ERBB2 11/4885RAF1 121/4885
US-10906878-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC EGFR 24/4885ERBB2 11/4885RAF1 121/4885
US-10316002-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC EGFR 24/4885ERBB2 11/4885RAF1 121/4885
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC EGFR 24/4885ERBB2 11/4885RAF1 121/4885

“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.