SCHEMBL1077495

SCHEMBL1077495

COc1c(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccn3)ccc2C)cc2cnc(N[C@@H](C)CO)nc2c1-c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 14/20 0.42
▸ ABL1 P00519 3/20 0.41
▸ BCR P11274 1/20 0.40
▸ BTK Q06187 2/20 0.40
▸ DYRK1A Q13627 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ TEK Q02763 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38

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
SCHEMBL1079918 0.93 BRAF (0.42) BRAFABL1BTKLCKKDR
SCHEMBL1077875 0.91 BRAF (0.43) BRAFABL1BCRBTKDYRK1A
SCHEMBL1076599 0.87 BRAF (0.44) BRAFABL1BTKLCKKDR
SCHEMBL1079626 0.85 BRAF (0.44) BRAFABL1BTKLCKKDR
SCHEMBL1080051 0.84 BRAF (0.43) BRAFABL1BTKLCKKDR
SCHEMBL1149194 0.81 KDR (0.60) BRAFABL1BCRLCKKDR
SCHEMBL1078471 0.81 BRAF (0.44) BRAFABL1BTKLCKKDR
SCHEMBL1077406 0.78 BRAF (0.44) BRAFABL1BTKLCKKDR
SCHEMBL1148921 0.78 LCK (0.48) BRAFABL1BCRBTKDYRK1A
SCHEMBL1077337 0.78 KDR (0.59) BRAFABL1BCRBTKDYRK1A

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 BRAF 2498/4885ABL1 47/4885BCR 3233/4885

“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.

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