SCHEMBL4469673

SCHEMBL4469673

CCOc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OCC

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.79
ABCB1 P08183 1/20 0.79
ABCG2 Q9UNQ0 1/20 0.79
FBP1 P09467 6/20 0.68
EGFR P00533 10/20 0.67
ERBB2 P04626 2/20 0.67
ERBB4 Q15303 2/20 0.67
RET P07949 2/20 0.59
KIF5B P33176 2/20 0.59
KDR P35968 2/20 0.59
MKNK1 Q9BUB5 1/20 0.59

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
SCHEMBL29711485 0.88 JAK3 (1.00) JAK3ABCB1ABCG2FBP1EGFR
SCHEMBL29651 0.88 JAK3 (1.00) JAK3ABCB1ABCG2FBP1EGFR
SCHEMBL29372372 0.88 JAK3 (1.00) JAK3ABCB1ABCG2FBP1EGFR
SCHEMBL4477758 0.84 EGFR (0.77) JAK3FBP1EGFRERBB2ERBB4
SCHEMBL3008965 0.81 FBP1 (1.00) ABCG2FBP1EGFRERBB2ERBB4
SCHEMBL5565577 0.81 FGFR1 (0.78) FBP1EGFRERBB2ERBB4RET
SCHEMBL14979614 0.81 EGFR (0.71) ABCG2FBP1EGFRERBB2ERBB4
SCHEMBL10126401 0.80 JAK3 (0.65) JAK3ABCB1ABCG2FBP1EGFR
SCHEMBL13604740 0.78 EGFR (0.66) FBP1EGFRERBB2ERBB4RET
SCHEMBL6665062 0.78 EGFR (0.70) JAK3ABCB1ABCG2FBP1EGFR

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-7538231-B2 Tyrosine kinase inhibitors MERCK & CO, INC. (US) 2009-05-26 US disclosed
US-20060276514-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2006-12-07 US disclosed
US-6326373-B1 ASTHMA THERAPY PARKER HUGHES INSTITUTE 2001-12-04 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 (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-20060276514-A1 Tyrosine kinase inhibitors ABL1, RET, ERBB2 JAK3 29/4885ABCB1 1090/4885ABCG2 375/4885

“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.