SCHEMBL5241456

SCHEMBL5241456

COc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.83
EGFR P00533 9/20 0.83
RET P07949 6/20 0.83
KIF5B P33176 6/20 0.83
FLT1 P17948 10/20 0.66
FGFR1 P11362 8/20 0.66
FLT4 P35916 6/20 0.64
EPHB2 P29323 2/20 0.64
RAF1 P04049 2/20 0.61
BRAF P15056 2/20 0.61
PDGFRB P09619 3/20 0.60
FGFR2 P21802 2/20 0.60
FGFR4 P22455 2/20 0.60
FGFR3 P22607 2/20 0.60
TEK Q02763 2/20 0.60
BMPR1B O00238 1/20 0.60
PLK4 O00444 1/20 0.60
CIT O14578 1/20 0.60
GAK O14976 1/20 0.60
EPHB6 O15197 1/20 0.60

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
SCHEMBL156289 0.95 KDR (0.83) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL28007000 0.94 KDR (0.81) KDREGFRRETKIF5BFLT1
SCHEMBL5864525 0.91 KDR (1.00) KDREGFRRETKIF5BFLT1
SCHEMBL8684 0.90 KDR (0.82) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL7864775 0.90 KDR (0.98) KDREGFRRETKIF5BFLT1
SCHEMBL20355323 0.88 KDR (0.86) KDREGFRRETKIF5BFLT1
SCHEMBL1781767 0.88 KDR (0.71) KDREGFRRETKIF5BFLT1
Trifluoroacetic Acid SCHEMBL2089050 0.88 KDR (0.70) KDREGFRRETKIF5BFLT1
Trifluoroacetic Acid SCHEMBL29372105 0.88 KDR (0.70) KDREGFRRETKIF5BFLT1
SCHEMBL15946890 0.87 KDR (0.84) KDREGFRRETKIF5BFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780342-B1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO LTD (CN) 2016-06-01 EP disclosed
US-9181277-B2 Aminoquinazoline derivatives and their salts and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-10 US disclosed
US-9181277-B2 Aminoquinazoline derivatives and their salts and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-10 US disclosed
US-9181277-B2 Aminoquinazoline derivatives and their salts and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-10 US disclosed
EP-2780342-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE Sunshine Lake Pharma Co., Ltd. (CN) 2014-09-24 EP disclosed
US-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-08-14 US disclosed
US-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-08-14 US disclosed
US-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-08-14 US disclosed
WO-2013071697-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2013-05-23 WO disclosed
WO-2013071697-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2013-05-23 WO disclosed
EP-1680426-B1 1.3.4-TRIAZA-PHENALENE AND 1,3,4,6-TETRAAZAPHENALENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-09-19 EP disclosed
US-7217717-B2 Phenalene derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-7217717-B2 Phenalene derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-7217717-B2 Phenalene derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
EP-1680426-A1 1.3.4-TRIAZA-PHENALENE AND 1,3,4,6-TETRAAZAPHENALENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 EP disclosed
WO-2004111055-A1 1.3.4-TRIAZA-PHENALENE AND 1,3,4,6-TETRAAZAPHENALENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040254205-A1 Phenalene derivatives LUK KIN-CHUN (US) 2004-12-16 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 (2 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-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE ABL1, PRKDC, JAK2 KDR 949/4885EGFR 460/4885RET 201/4885
US-20040254205-A1 Phenalene derivatives EGFR, ERBB2, ERBB4 KDR 504/4885EGFR 1/4885RET 10/4885

“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.