SCHEMBL17857005

SCHEMBL17857005

COc1ccc(NC(=O)/C=C/CN(C)C)cc1Nc1cc(N(C)C(=O)Nc2ccccc2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 4/20 0.55
PIP4K2B P78356 4/20 0.55
FGFR4 P22455 7/20 0.54
FGFR1 P11362 3/20 0.54
EGFR P00533 6/20 0.51
FGFR3 P22607 2/20 0.51
FGFR2 P21802 1/20 0.51
IGF1R P08069 1/20 0.49
KCNH2 Q12809 1/20 0.49
GRK5 P34947 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL17856998 0.88 FGFR4 (0.68) FGFR4FGFR1FGFR3FGFR2
SCHEMBL17856990 0.87 PIP4K2A (0.68) PIP4K2APIP4K2BEGFRFGFR3CYP3A4
SCHEMBL16665261 0.80 FGFR1 (0.83) FGFR4FGFR1FGFR3FGFR2
SCHEMBL17856993 0.79 FGFR4 (0.58) FGFR4FGFR1FGFR3FGFR2
SCHEMBL12262335 0.78 EGFR (0.59) PIP4K2APIP4K2BEGFRKCNH2
SCHEMBL21081491 0.77 FGFR4 (0.49) FGFR4FGFR1FGFR3FGFR2CYP3A4
SCHEMBL19440564 0.76 FGFR4 (0.59) FGFR4FGFR1FGFR3FGFR2
SCHEMBL17856987 0.76 FGFR4 (0.63) FGFR4FGFR1EGFRFGFR3FGFR2
SCHEMBL690096 0.75 PIP4K2A (0.72) PIP4K2APIP4K2BEGFR
SCHEMBL690095 0.75 PIP4K2A (0.72) PIP4K2APIP4K2BEGFR

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 PIP4K2A 320/4885PIP4K2B 280/4885FGFR4 40/4885
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC PIP4K2A 320/4885PIP4K2B 280/4885FGFR4 40/4885
US-10906878-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC PIP4K2A 320/4885PIP4K2B 280/4885FGFR4 40/4885
US-10316002-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC PIP4K2A 320/4885PIP4K2B 280/4885FGFR4 40/4885
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC PIP4K2A 320/4885PIP4K2B 280/4885FGFR4 40/4885

“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.