SCHEMBL24891

SCHEMBL24891

Nc1cc2c(N)nc(-c3ccc(F)c(Cl)c3)nc2cc1OCC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.37
EPHB4 P54760 3/20 0.35
DPP4 P27487 3/20 0.35
SCN9A Q15858 2/20 0.34
SCN5A Q14524 1/20 0.34
EGFR P00533 5/20 0.34
FYN P06241 1/20 0.34
MAP4K4 O95819 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KDR P35968 2/20 0.32
ERBB2 P04626 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ERBB4 Q15303 1/20 0.32
AURKA O14965 1/20 0.31
INSR P06213 1/20 0.31
FBP1 P09467 1/20 0.31
PDGFRB P09619 1/20 0.31

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
SCHEMBL15876876 0.87 TSPO (0.42) TSPODPP4EGFRFYNKDR
SCHEMBL16212933 0.85 KDM4E (0.41) TSPOEPHB4DPP4SCN9AFYN
SCHEMBL643970 0.84 FLT1 (0.39) TSPOEGFRFYNKDRERBB2
SCHEMBL27532 0.83 FYN (0.43) TSPOEPHB4EGFRFYNKDR
SCHEMBL29714497 0.83 FYN (0.43) TSPOEPHB4EGFRFYNKDR
SCHEMBL16212409 0.81 TSPO (0.38) TSPOEPHB4EGFRFYNABCG2
SCHEMBL29229255 0.79 TP53 (0.48) EPHB4EGFRFYNKDRERBB2
SCHEMBL30505593 0.79 TP53 (0.48) EPHB4EGFRFYNKDRERBB2
SCHEMBL16212573 0.79 DHFR (0.40) TSPOEPHB4DPP4EGFRFYN
SCHEMBL15877127 0.79 DHFR (0.40) TSPOSCN9AEGFRADORA2AADORA1

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 TSPO 3248/4885EPHB4 3098/4885DPP4 3294/4885
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 TSPO 2408/4885EPHB4 682/4885DPP4 3625/4885
US-20130274275-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 TSPO 3248/4885EPHB4 3098/4885DPP4 3294/4885

“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.