SCHEMBL2835023

SCHEMBL2835023

COc1cc2ncnc(-c3nnn[nH]3)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.46
EGFR P00533 7/20 0.45
KDM1A O60341 2/20 0.45
ENPP1 P22413 2/20 0.43
LCK P06239 1/20 0.42
KDR P35968 2/20 0.41
GAK O14976 1/20 0.41
SRC P12931 1/20 0.41
RET P07949 1/20 0.41
CLK1 P49759 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
FLT3 P36888 1/20 0.40

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
SCHEMBL2836567 0.86 ENPP1 (0.47) EGFRENPP1
SCHEMBL2840274 0.84 ENPP1 (0.49) KITEGFRKDM1AENPP1GAK
SCHEMBL8502293 0.70 LCK (0.60) KITEGFRENPP1LCKGAK
SCHEMBL4782102 0.70 WHR1 (0.61) KITEGFRLCKKDRRET
SCHEMBL13844488 0.70 KIT (0.36) KITEGFRENPP1SRC
SCHEMBL15266323 0.69 PDPK1 (0.37) KDRSRC
SCHEMBL4726982 0.69 KIT (0.59) KITEGFRENPP1KDRRET
SCHEMBL6182709 0.69 KIT (0.59) KITEGFRKDM1AENPP1LCK
SCHEMBL6180664 0.68 KIT (0.61) KITEGFRENPP1LCKKDR
SCHEMBL5569432 0.68 KIT (0.69) KITEGFRENPP1LCKKDR

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 13 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 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
CN-101878203-A Novel 4-(tetrazol-5-yl)-quinazoline derivatives as anti cancer agents NATCO PHARMA LTD 2010-11-03 CN 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
EP-2220054-A2 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENTS Natco Pharma Limited (IN) 2010-08-25 EP disclosed
WO-2009057139-A2 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-05-07 WO 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 KIT 32/4885EGFR 1213/4885KDM1A 1986/4885
US-20100261740-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT MKI67, CDKL5, CCNI KIT 31/4885EGFR 1110/4885KDM1A 2055/4885

“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.