SCHEMBL17837355

SCHEMBL17837355

CNc1ncnc2cc(OC)c(NC(=O)C3CCCN3C(=O)OC(C)(C)C)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 1/20 0.59
XIAP P98170 1/20 0.59
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 2/20 0.47
JAK2 O60674 1/20 0.47
KDR P35968 3/20 0.47
EGFR P00533 2/20 0.47
RAF1 P04049 2/20 0.47
ERBB2 P04626 2/20 0.47
FGFR2 P21802 2/20 0.47
FLT4 P35916 2/20 0.47
TEK Q02763 2/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
RET P07949 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL17837356 1.00 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19XIAPLMNA
SCHEMBL15050161 0.81 CYP3A4 (0.69) CYP3A4CYP2C9CYP2C19XIAPLMNA
SCHEMBL159135 0.81 CYP3A4 (0.69) CYP3A4CYP2C9CYP2C19XIAPLMNA
SCHEMBL157909 0.81 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19XIAPLMNA
SCHEMBL157902 0.81 CYP3A4 (0.88) CYP3A4CYP2C9CYP2C19XIAPKDR
SCHEMBL15050347 0.81 CYP3A4 (0.88) CYP3A4CYP2C9CYP2C19XIAPKDR
SCHEMBL15050346 0.81 CYP3A4 (0.88) CYP3A4CYP2C9CYP2C19XIAPKDR
SCHEMBL157910 0.80 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19XIAPLMNA
SCHEMBL159407 0.80 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19XIAPLMNA
SCHEMBL158948 0.79 EGFR (0.62) KDREGFRRAF1ERBB2FGFR2

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 CYP3A4 4635/4885CYP2C9 4389/4885CYP2C19 3992/4885
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC CYP3A4 4635/4885CYP2C9 4389/4885CYP2C19 3992/4885
US-10906878-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC CYP3A4 4635/4885CYP2C9 4389/4885CYP2C19 3992/4885
US-10316002-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC CYP3A4 4635/4885CYP2C9 4389/4885CYP2C19 3992/4885
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC CYP3A4 4635/4885CYP2C9 4389/4885CYP2C19 3992/4885

“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.