SCHEMBL1079625

SCHEMBL1079625

Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1-c1cc2cnc(NC(=O)C3CC3)nc2c(-c2ccnc(F)c2)c1O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.46
BRAF P15056 6/20 0.43
GSK3B P49841 4/20 0.43
GSK3A P49840 3/20 0.43
MAPT P10636 2/20 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
SCHEMBL1077186 0.92 ABL1 (0.47) ABL1BRAFGSK3BGSK3A
SCHEMBL1079128 0.91 ABL1 (0.47) ABL1BRAFGSK3BGSK3AMAPT
SCHEMBL1079743 0.89 BRAF (0.42) ABL1BRAF
SCHEMBL1077835 0.89 ABL1 (0.47) ABL1BRAFGSK3BGSK3A
SCHEMBL1077657 0.89 MAPK14 (0.47) ABL1BRAF
SCHEMBL1078499 0.84 ABL1 (0.52) ABL1BRAF
SCHEMBL1077797 0.82 BTK (0.42) ABL1BRAF
SCHEMBL1078407 0.82 LCK (0.48) ABL1BRAF
SCHEMBL1077238 0.81 BTK (0.42) ABL1BRAF
SCHEMBL1149288 0.81 LCK (0.48) ABL1BRAF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2269993-B1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2013-02-27 EP disclosed
US-20110039845-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-02-17 US disclosed
EP-2269993-A1 2-AMINOQUINAZOLINE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2011-01-05 EP 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 (1 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-20110039845-A1 2-AMINOQUINAZOLINE DERIVATIVE H1-2, H1-3, H1-0 ABL1 47/4885BRAF 2498/4885GSK3B 3859/4885

“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.