SCHEMBL5845291

SCHEMBL5845291

Oc1cc2ncnc(Nc3cccc(Br)c3)c2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 1.00
FBP1 P09467 3/20 0.71
ABCG2 Q9UNQ0 2/20 0.68
ERBB2 P04626 3/20 0.67
EPHB2 P29323 2/20 0.67
KDM4E B2RXH2 1/20 0.67
GAK O14976 1/20 0.67
MAPK13 O15264 1/20 0.67
ABL1 P00519 1/20 0.67
CYP1A2 P05177 1/20 0.67
CDK1 P06493 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
MAPT P10636 1/20 0.67
CYP2C9 P11712 1/20 0.67
SRC P12931 1/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP2C19 P33261 1/20 0.67
KDR P35968 1/20 0.67

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
SCHEMBL22367405 0.86 EGFR (0.82) EGFRFBP1ABCG2ERBB2EPHB2
SCHEMBL4229994 0.86 EGFR (0.82) EGFRFBP1ABCG2ERBB2EPHB2
SCHEMBL1985296 0.85 EGFR (0.74) EGFRABCG2ERBB2KDM4EABL1
SCHEMBL3664557 0.85 EGFR (0.81) EGFRFBP1ABCG2ERBB2MAPK1
SCHEMBL15070939 0.83 EGFR (0.71) EGFRFBP1ABCG2ERBB2EPHB2
SCHEMBL8871418 0.83 EGFR (0.71) EGFRERBB2EPHB2KDM4EMAPK1
SCHEMBL5845413 0.83 EGFR (0.72) EGFRFBP1ERBB2KDM4EABL1
SCHEMBL7216369 0.83 EGFR (1.00) EGFRFBP1ABCG2ERBB2EPHB2
SCHEMBL4348523 0.83 FBP1 (1.00) EGFRFBP1ABCG2ERBB2EPHB2
SCHEMBL31061549 0.83 FBP1 (1.00) EGFRFBP1ABCG2ERBB2EPHB2

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
US-7078409-B2 Fused quinazoline derivatives useful as tyrosine kinase inhibitors BETA PHARMA, INC. (US) 2006-07-18 US disclosed
US-20040048883-A1 Novel fused quinazoline derivatives useful as tyrosine kinase inhibitors BETA PHARMA, INC. 2004-03-11 US disclosed
WO-2003082830-A1 NOVEL FUSED QUINAZOLINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS BETA PHARMA, INC. (US) 2003-10-09 WO 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-20040048883-A1 Novel fused quinazoline derivatives useful as tyrosine kinase inhibitors ABL1, ERBB2, CNKSR1 EGFR 82/4885FBP1 2723/4885ABCG2 880/4885

“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.