SCHEMBL2837532

SCHEMBL2837532

CCCOc1cc2ncnc(Cl)c2cc1OCCC

nearest known ligand 0.88

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.88
EGFR P00533 9/20 0.50
ALDH1A1 P00352 1/20 0.45
FBP1 P09467 2/20 0.45
KDR P35968 6/20 0.43
FLT1 P17948 2/20 0.43
GAK O14976 1/20 0.42
KDM1A O60341 1/20 0.42
FGFR1 P11362 1/20 0.41
FLT4 P35916 1/20 0.41

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
SCHEMBL13299050 0.86 ENPP1 (0.86) ENPP1EGFRKDRFLT1FGFR1
SCHEMBL8649615 0.86 ENPP1 (0.86) ENPP1EGFRKDRFLT1FGFR1
SCHEMBL1013257 0.86 ENPP1 (0.88) ENPP1EGFRALDH1A1FBP1
SCHEMBL163465 0.85 ENPP1 (0.71) ENPP1EGFRKDRFLT1GAK
SCHEMBL29478510 0.85 ENPP1 (0.71) ENPP1EGFRKDRFLT1GAK
SCHEMBL1507564 0.85 ENPP1 (0.66) ENPP1EGFRALDH1A1FBP1KDR
Hydrochloric Acid SCHEMBL8307436 0.84 ENPP1 (0.69) ENPP1EGFRKDRFLT1GAK
SCHEMBL1013021 0.81 ENPP1 (0.79) ENPP1EGFRALDH1A1KDRFLT1
SCHEMBL1013051 0.81 ENPP1 (0.79) ENPP1EGFRKDRFLT1FGFR1
SCHEMBL1015576 0.81 ENPP1 (0.79) ENPP1EGFRKDRFLT1FGFR1

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
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

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 ENPP1 2315/4885EGFR 1213/4885ALDH1A1 856/4885
US-20100261740-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT MKI67, CDKL5, CCNI ENPP1 2397/4885EGFR 1110/4885ALDH1A1 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.