SCHEMBL2830929

SCHEMBL2830929

CCCOc1cc2ncnc(-c3nnnn3Cc3cccc([N+](=O)[O-])c3)c2cc1OCCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.44
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PDGFRB P09619 2/20 0.37
HPGD P15428 1/20 0.37
ENPP1 P22413 1/20 0.37
PDE5A O76074 1/20 0.37
EGFR P00533 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL2836761 0.93 ABCG2 (0.43) ABCG2MAPTALDH1A1LMNAPKM
SCHEMBL2834365 0.91 ABCG2 (0.51) ABCG2MAPTALDH1A1LMNAPKM
SCHEMBL2837582 0.85 EGFR (0.42) ENPP1EGFR
SCHEMBL16507592 0.78 EGFR (0.53) MAPTALDH1A1LMNAHPGDEGFR
SCHEMBL2833438 0.77 P2RX7 (0.43) PDGFRBENPP1EGFR
SCHEMBL2833476 0.77 EGFR (0.39) EGFR
SCHEMBL13844442 0.76 KIT (0.43) ALDH1A1LMNAPDGFRBHPGDENPP1
Hydrochloric Acid SCHEMBL2833456 0.75 KIT (0.46) ALDH1A1LMNAHPGDEGFR
SCHEMBL13090429 0.74 ERBB2 (0.43) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL2836576 0.73 ENPP1 (0.39) PDGFRBENPP1PDE5AEGFR

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 15 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
EP-2220054-A2 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENTS Natco Pharma Limited (IN) 2010-08-25 EP claimed
WO-2009057139-A2 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-05-07 WO 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 ABCG2 403/4885MAPT 3411/4885ALDH1A1 856/4885
US-20100261740-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT MKI67, CDKL5, CCNI ABCG2 441/4885MAPT 3549/4885ALDH1A1 856/4885

“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.