SCHEMBL26082

SCHEMBL26082

O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCF

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.61
FBP1 P09467 2/20 0.60
ERBB2 P04626 3/20 0.59
AURKA O14965 1/20 0.59
INSR P06213 1/20 0.59
PDGFRB P09619 1/20 0.59
FLT4 P35916 1/20 0.59
KDR P35968 1/20 0.59
CLK1 P49759 1/20 0.59
EPHB4 P54760 1/20 0.59
TEK Q02763 1/20 0.59
AURKB Q96GD4 1/20 0.59
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58

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
SCHEMBL4576907 0.94 FBP1 (0.60) EGFRFBP1ERBB2AURKAINSR
SCHEMBL6987785 0.94 EGFR (0.70) EGFRFBP1ERBB2AURKAINSR
SCHEMBL3575576 0.93 EGFR (0.64) EGFRFBP1ERBB2AURKAINSR
SCHEMBL19293607 0.93 FBP1 (0.66) EGFRFBP1ERBB2AURKAINSR
SCHEMBL15928220 0.93 EGFR (0.61) EGFRFBP1ERBB2AURKAINSR
SCHEMBL15928079 0.93 FBP1 (0.60) EGFRFBP1ERBB2AURKAINSR
SCHEMBL6995758 0.92 EGFR (0.63) EGFRERBB2KDRHDAC3HDAC4
SCHEMBL642350 0.91 EGFR (0.64) EGFRFBP1ERBB2AURKAINSR
SCHEMBL6674011 0.90 EGFR (0.64) EGFRFBP1ERBB2AURKAINSR
SCHEMBL17538495 0.90 EGFR (0.63) EGFRFBP1ERBB2AURKAINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623883-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2014-01-07 US disclosed
US-20130274275-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER-LAMBERT COMPANY LLC 2013-10-17 US disclosed
US-8466165-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2013-06-18 US disclosed
EP-1746999-B1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER LAMBERT CO (US) 2011-11-16 EP disclosed
US-20110262877-A1 HEAT TREATMENT APPARATUS IHI CORPORATION (JP) 2011-10-27 US disclosed
US-7772243-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2010-08-10 US disclosed
US-20100190977-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES PFIZER INC. 2010-07-29 US disclosed
EP-1746999-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES Warner-Lambert Company LLC (US) 2007-01-31 EP disclosed
WO-2005107758-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER-LAMBERT COMPANY LLC (US) 2005-11-17 WO disclosed
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 (3 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-20100190977-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 EGFR 1504/4885FBP1 4864/4885ERBB2 1415/4885
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 41/4885FBP1 4696/4885ERBB2 8/4885
US-20130274275-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 EGFR 1504/4885FBP1 4864/4885ERBB2 1415/4885

“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.