SCHEMBL16543791

SCHEMBL16543791

Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC(F)F

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.66
FBP1 P09467 2/20 0.66
AURKA O14965 1/20 0.66
ERBB2 P04626 1/20 0.66
INSR P06213 1/20 0.66
PDGFRB P09619 1/20 0.66
FLT4 P35916 1/20 0.66
KDR P35968 1/20 0.66
CLK1 P49759 1/20 0.66
EPHB4 P54760 1/20 0.66
TEK Q02763 1/20 0.66
AURKB Q96GD4 1/20 0.66
GRM1 Q13255 1/20 0.61

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
SCHEMBL24979 0.91 EGFR (0.68) EGFRFBP1AURKAERBB2INSR
SCHEMBL2971582 0.88 FBP1 (0.64) EGFRFBP1AURKAERBB2INSR
SCHEMBL26876 0.87 EGFR (0.83) EGFRFBP1AURKAERBB2INSR
SCHEMBL29362232 0.87 EGFR (0.83) EGFRFBP1AURKAERBB2INSR
SCHEMBL15928080 0.86 FBP1 (0.66) EGFRFBP1AURKAERBB2INSR
SCHEMBL15928219 0.86 FBP1 (0.66) EGFRFBP1AURKAERBB2INSR
SCHEMBL26593 0.86 FBP1 (0.71) EGFRFBP1AURKAERBB2INSR
Water SCHEMBL28549003 0.86 EGFR (0.81) EGFRFBP1AURKAERBB2INSR
Hydrochloric Acid SCHEMBL28101874 0.86 EGFR (0.81) EGFRFBP1AURKAERBB2INSR
SCHEMBL17538536 0.85 EGFR (0.65) EGFRFBP1AURKAERBB2INSR

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
WO-2020011020-A1 MEFATINIB COMPOSITION, RELATED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州华东医药集团生物医药有限公司 2020-01-16 WO disclosed
US-20150065709-A1 Aminoquinazoline Derivative And Use Thereof In Preparing Anti-Malignant Tumor Medicament METABOMICS, INC. (CN) 2015-03-05 US disclosed
US-20150065709-A1 Aminoquinazoline Derivative And Use Thereof In Preparing Anti-Malignant Tumor Medicament METABOMICS, INC. (CN) 2015-03-05 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-20150065709-A1 Aminoquinazoline Derivative And Use Thereof In Preparing Anti-Malignant Tumor Medicament ERBB2, EGFR, ERBB4 EGFR 2/4885FBP1 2385/4885AURKA 127/4885

“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.