SCHEMBL2833476

SCHEMBL2833476

CCOc1cc2ncnc(-c3nnnn3Cc3cccc(N)c3)c2cc1OCC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.39
FBP1 P09467 5/20 0.39
ERBB2 P04626 2/20 0.39
ERBB4 Q15303 2/20 0.39
KIT P10721 1/20 0.37
RET P07949 1/20 0.37
KDR P35968 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL13844442 0.96 KIT (0.43) EGFRFBP1ERBB2KITRET
SCHEMBL2837582 0.92 EGFR (0.42) EGFRFBP1ERBB2KITRET
SCHEMBL2831983 0.91 KIT (0.47) EGFRERBB2KITRETKDR
Hydrochloric Acid SCHEMBL2833456 0.90 KIT (0.46) EGFRERBB2KITRETKDR
SCHEMBL2836761 0.84 ABCG2 (0.43) EGFRFBP1
SCHEMBL16507592 0.81 EGFR (0.53) EGFRERBB2KITKDM4EP2RX7
SCHEMBL2836110 0.80 P2RX7 (0.44) EGFRFBP1ERBB2ERBB4P2RX7
SCHEMBL2830929 0.77 ABCG2 (0.44) EGFR
SCHEMBL13090429 0.77 ERBB2 (0.43) EGFRFBP1ERBB2RETKDR
SCHEMBL2834365 0.76 ABCG2 (0.51) EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172380-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT NATCO PHARMA LIMITED (IN) 2012-07-05 US claimed
US-8080558-B2 4-(tetrazol-5-yl)-quinazoline derivatives as anti-cancer agent NATCO PHARMA LIMITED (IN) 2011-12-20 US claimed
US-20100261740-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT NATCO PHARMA LIMITED (IN) 2010-10-14 US claimed
US-20120172380-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT NATCO PHARMA LIMITED (IN) 2012-07-05 US disclosed
US-20120172380-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT NATCO PHARMA LIMITED (IN) 2012-07-05 US disclosed
US-20120172380-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT NATCO PHARMA LIMITED (IN) 2012-07-05 US disclosed
US-8080558-B2 4-(tetrazol-5-yl)-quinazoline derivatives as anti-cancer agent NATCO PHARMA LIMITED (IN) 2011-12-20 US disclosed
US-8080558-B2 4-(tetrazol-5-yl)-quinazoline derivatives as anti-cancer agent NATCO PHARMA LIMITED (IN) 2011-12-20 US disclosed
US-20100261740-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT NATCO PHARMA LIMITED (IN) 2010-10-14 US disclosed
US-20100261740-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT NATCO PHARMA LIMITED (IN) 2010-10-14 US disclosed
WO-2009057139-A2 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-05-07 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 (2 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-20120172380-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT MKI67, CDKL5, CCNI EGFR 1213/4885FBP1 1335/4885ERBB2 535/4885
US-20100261740-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT MKI67, CDKL5, CCNI EGFR 1110/4885FBP1 1224/4885ERBB2 564/4885

“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.