SCHEMBL17498587

SCHEMBL17498587

O=C(/C=C/CBr)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.80
EGFR P00533 17/20 0.80
ERBB4 Q15303 4/20 0.80
JAK3 P52333 3/20 0.70
ABL1 P00519 4/20 0.67
INSR P06213 4/20 0.67
PDGFRB P09619 4/20 0.67
CDK2 P24941 4/20 0.67
PLK1 P53350 4/20 0.67
HDAC1 Q13547 2/20 0.67
HDAC8 Q9BY41 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
HDAC3 O15379 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65

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
SCHEMBL17498588 1.00 ERBB2 (0.80) ERBB2EGFRERBB4JAK3ABL1
SCHEMBL2512027 0.91 EGFR (0.85) ERBB2EGFRERBB4JAK3ABL1
Allitinib SCHEMBL29354831 0.89 EGFR (1.00) ERBB2EGFRERBB4ABL1INSR
Allitinib SCHEMBL31732812 0.89 EGFR (1.00) ERBB2EGFRERBB4ABL1INSR
Allitinib SCHEMBL233985 0.89 EGFR (1.00) ERBB2EGFRERBB4ABL1INSR
SCHEMBL17498589 0.88 EGFR (0.76) ERBB2EGFRERBB4JAK3
SCHEMBL17498590 0.88 EGFR (0.76) ERBB2EGFRERBB4JAK3
Allitinib SCHEMBL1402417 0.88 EGFR (0.98) ERBB2EGFRERBB4ABL1INSR
SCHEMBL17498548 0.88 EGFR (0.81) ERBB2EGFRERBB4JAK3
SCHEMBL17498545 0.88 EGFR (0.81) ERBB2EGFRERBB4JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556191-B2 Aminoquinazoline derivatives and their salts and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-01-31 US disclosed
US-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-02-11 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-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF WNK1, ABL1, NEK4 ERBB2 368/4885EGFR 1223/4885ERBB4 569/4885

“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.