SCHEMBL17837349

SCHEMBL17837349

COc1cc2ncnc(N(C)C(=O)NCc3ccccc3)c2cc1NC(=O)C1CCCN1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.48
EGFR P00533 2/20 0.47
APP P05067 3/20 0.46
CYP3A4 P08684 6/20 0.46
ABL1 P00519 1/20 0.45
RAF1 P04049 1/20 0.45
ERBB2 P04626 1/20 0.45
LCK P06239 1/20 0.45
RET P07949 1/20 0.45
SRC P12931 1/20 0.45
FGFR2 P21802 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
TEK Q02763 1/20 0.45
CYP2C9 P11712 2/20 0.45
ATM Q13315 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL17837345 0.93 EGFR (0.53) MEN1KMT2AALDH1A1TP53EGFR
SCHEMBL17837344 0.93 EGFR (0.53) MEN1KMT2AALDH1A1TP53EGFR
SCHEMBL17837337 0.92 MEN1 (0.48) MEN1KMT2AALDH1A1TP53EGFR
SCHEMBL16370416 0.92 MEN1 (0.48) MEN1KMT2AALDH1A1TP53EGFR
SCHEMBL16370691 0.84 EGFR (0.47) EGFRERBB2SRCKDRPDGFRB
SCHEMBL16370684 0.84 EGFR (0.47) EGFRERBB2SRCKDRPDGFRB
SCHEMBL17857004 0.83 CYP3A4 (0.45) MEN1KMT2AALDH1A1TP53EGFR
SCHEMBL17857007 0.83 EGFR (0.55) MEN1KMT2AALDH1A1TP53EGFR
SCHEMBL17857002 0.81 EGFR (0.53) MEN1KMT2ATP53EGFRCYP3A4
SCHEMBL19442033 0.78 SRC (0.46) ALDH1A1EGFRSRCKDRPDGFRB

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 6 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-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 MEN1 3935/4885KMT2A 1697/4885ALDH1A1 3876/4885
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC MEN1 3935/4885KMT2A 1697/4885ALDH1A1 3876/4885
US-10906878-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC MEN1 3935/4885KMT2A 1697/4885ALDH1A1 3876/4885
US-10316002-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC MEN1 3935/4885KMT2A 1697/4885ALDH1A1 3876/4885
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC MEN1 3935/4885KMT2A 1697/4885ALDH1A1 3876/4885

“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.