SCHEMBL1079918

SCHEMBL1079918

COc1c(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccn3)ccc2C)cc2cnc(N[C@@H](C)CO)nc2c1-c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 15/20 0.42
▸ BTK Q06187 3/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ SRC P12931 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
▸ EGFR P00533 1/20 0.36
▸ TEC P42680 1/20 0.36
▸ TXK P42681 1/20 0.36
▸ BMX P51813 1/20 0.36
▸ ITK Q08881 1/20 0.36

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
SCHEMBL1077495 0.93 BRAF (0.42) BRAFBTKABL1LCKKDR
SCHEMBL1080051 0.91 BRAF (0.43) BRAFBTKABL1SRCLCK
SCHEMBL1076599 0.89 BRAF (0.44) BRAFBTKABL1SRCLCK
SCHEMBL1079626 0.85 BRAF (0.44) BRAFBTKABL1SRCLCK
SCHEMBL1077875 0.84 BRAF (0.43) BRAFBTKABL1LCKKDR
SCHEMBL1078471 0.82 BRAF (0.44) BRAFBTKABL1SRCLCK
SCHEMBL1149335 0.80 KDR (0.61) BRAFABL1SRCLCKKDR
SCHEMBL1077406 0.78 BRAF (0.44) BRAFBTKABL1SRCLCK
SCHEMBL1083594 0.78 BRAF (0.43) BRAFBTKABL1SRCLCK
SCHEMBL1078150 0.78 LCK (0.47) BRAFBTKABL1SRCLCK

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 2498/4885BTK 1837/4885ABL1 47/4885

“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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