SCHEMBL2836110

SCHEMBL2836110

CCOc1cc2ncnc(-c3nnnn3Cc3ccccn3)c2cc1OCC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
EGFR P00533 13/20 0.41
ERBB2 P04626 3/20 0.39
FBP1 P09467 4/20 0.39
ENPP1 P22413 1/20 0.37
ERBB4 Q15303 3/20 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
SCHEMBL2833438 0.92 P2RX7 (0.43) P2RX7EGFRERBB2ENPP1ERBB4
SCHEMBL2834806 0.91 EGFR (0.48) P2RX7EGFRERBB2ERBB4
SCHEMBL13844436 0.80 P2RX7 (0.43) P2RX7EGFRERBB2ERBB4
SCHEMBL2833476 0.80 EGFR (0.39) P2RX7EGFRERBB2FBP1ERBB4
SCHEMBL2836613 0.80 EGFR (0.39) EGFRERBB2FBP1ENPP1ERBB4
SCHEMBL13844442 0.77 KIT (0.43) P2RX7EGFRERBB2FBP1ENPP1
SCHEMBL10012996 0.77 ENPP1 (0.37) EGFRERBB2FBP1ENPP1
SCHEMBL2836761 0.76 ABCG2 (0.43) EGFRFBP1
SCHEMBL2837582 0.73 EGFR (0.42) P2RX7EGFRERBB2FBP1ENPP1
SCHEMBL16507592 0.72 EGFR (0.53) P2RX7EGFRERBB2

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 14 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
CN-101878203-A Novel 4-(tetrazol-5-yl)-quinazoline derivatives as anti cancer agents NATCO PHARMA LTD 2010-11-03 CN 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-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
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 P2RX7 1193/4885EGFR 1213/4885ERBB2 535/4885
US-20100261740-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT MKI67, CDKL5, CCNI P2RX7 1471/4885EGFR 1110/4885ERBB2 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.