SCHEMBL6129182

SCHEMBL6129182

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1C(N)=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.75
ERBB2 P04626 7/20 0.75
KDR P35968 3/20 0.75
FBP1 P09467 2/20 0.75
AURKA O14965 1/20 0.75
INSR P06213 1/20 0.75
PDGFRB P09619 1/20 0.75
FLT4 P35916 1/20 0.75
CLK1 P49759 1/20 0.75
EPHB4 P54760 1/20 0.75
TEK Q02763 1/20 0.75
AURKB Q96GD4 1/20 0.75
ERBB4 Q15303 1/20 0.68
ERBB3 P21860 1/20 0.67
DUS2 Q9NX74 1/20 0.67
HDAC3 O15379 4/20 0.66
HDAC4 P56524 4/20 0.66
HDAC1 Q13547 4/20 0.66
HDAC7 Q8WUI4 4/20 0.66
HDAC2 Q92769 4/20 0.66

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
Water SCHEMBL28549001 0.99 EGFR (0.74) EGFRERBB2KDRFBP1AURKA
SCHEMBL23959897 0.91 EGFR (0.77) EGFRERBB2KDRFBP1AURKA
SCHEMBL30362898 0.91 EGFR (0.70) EGFRERBB2KDRFBP1AURKA
SCHEMBL27667251 0.89 EGFR (0.62) EGFRERBB2KDRFBP1AURKA
SCHEMBL8215639 0.89 EGFR (0.74) EGFRERBB2KDRFBP1AURKA
SCHEMBL27686218 0.88 EGFR (0.60) EGFRERBB2KDRFBP1AURKA
SCHEMBL27686261 0.87 EGFR (0.60) EGFRERBB2KDRFBP1AURKA
SCHEMBL2099106 0.86 EGFR (1.00) EGFRERBB2KDRFBP1AURKA
SCHEMBL30505605 0.86 EGFR (1.00) EGFRERBB2KDRFBP1AURKA
Hydrochloric Acid SCHEMBL27887194 0.85 EGFR (0.98) EGFRERBB2KDRFBP1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250761-A1 such as -Piperidin-1-yl-but-2-enoic acid [4(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yl]-amide, used as tyrosine kinase inhibitors, for the prevention of proliferative diseases, including cancer, atherosclerosis, restenosis, endometriosis and psoriasis PFIZER INC 2005-11-10 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-20050250761-A1 such as -Piperidin-1-yl-but-2-enoic acid [4(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yl]-amide, used as tyrosine kinase inhibitors, for the prevention of proliferative diseases, including cancer, atherosclerosis, restenosis, endometriosis and psoriasis JAK1, JAK2, EDNRA EGFR 41/4885ERBB2 8/4885KDR 503/4885

“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.