SCHEMBL2701358

SCHEMBL2701358

CC(C)[Si](C#Cc1cc(Nc2ncnc3ccc(I)cc23)ccc1OCc1cccc(F)c1)(C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.53
ERBB2 P04626 16/20 0.53
GAK O14976 1/20 0.52
ERBB4 Q15303 1/20 0.49
ABL1 P00519 1/20 0.46
INSR P06213 1/20 0.46
PDGFRB P09619 1/20 0.46
CDK2 P24941 1/20 0.46
PLK1 P53350 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL6980024 0.83 EGFR (0.60) EGFRERBB2GAKERBB4ABL1
SCHEMBL2700937 0.83 EGFR (0.59) EGFRERBB2ERBB4ABL1INSR
SCHEMBL4720051 0.83 EGFR (0.60) EGFRERBB2GAKERBB4ABL1
SCHEMBL3320212 0.82 EGFR (0.69) EGFRERBB2GAKERBB4HDAC1
SCHEMBL141514 0.81 EGFR (0.73) EGFRERBB2GAKERBB4ABL1
SCHEMBL9973594 0.81 EGFR (0.58) EGFRERBB2GAKERBB4ABL1
SCHEMBL29693649 0.81 EGFR (0.73) EGFRERBB2GAKERBB4ABL1
SCHEMBL2699753 0.81 EGFR (0.58) EGFRERBB2GAKERBB4ABL1
Hydrochloric Acid SCHEMBL215037 0.80 EGFR (0.72) EGFRERBB2GAKERBB4ABL1
SCHEMBL3014295 0.79 EGFR (0.63) EGFRERBB2GAKERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987284-B2 Phosphorus containing quinazoline compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. 2012-08-02 US disclosed
EP-2448409-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE Newgen Therapeutics, Inc. (US) 2012-05-09 EP disclosed
WO-2011002523-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE KANIONUSA INC. (US) 2011-01-06 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-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE PPIP5K2, PIK3CA, PHKA1 EGFR 718/4885ERBB2 446/4885GAK 225/4885

“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.