SCHEMBL2836782

SCHEMBL2836782

COc1cc2c(cc1OC)NC(=O)NC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.61
PDE3A Q14432 1/20 0.61
EGFR P00533 5/20 0.44
SRC P12931 2/20 0.44
CYP3A4 P08684 2/20 0.42
MAPT P10636 1/20 0.42
KDR P35968 3/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.38
CYP19A1 P11511 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37

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
SCHEMBL5912839 0.88 MAPT (0.50) PDE3BPDE3AEGFRSRCMAPT
SCHEMBL6031474 0.83 EGFR (0.50) PDE3BPDE3AEGFRKDRKMT2A
SCHEMBL22049240 0.81 CYP3A4 (0.52) PDE3BPDE3AEGFRSRCCYP3A4
SCHEMBL6881236 0.80 PDE3B (0.45) PDE3BPDE3A
SCHEMBL3280903 0.77 TSHR (0.47) SRCMAPK1ALDH1A1GAATSHR
SCHEMBL293099 0.76 PDE3B (0.77) PDE3BPDE3ASRCALDH1A1ACHE
SCHEMBL15427070 0.75 PDE3B (0.45) PDE3BPDE3AMAPTALDH1A1GAA
SCHEMBL578508 0.74 SRC (0.57) PDE3BPDE3AEGFRSRCCYP3A4
SCHEMBL16339494 0.73 CYP11B1 (0.57) PDE3BPDE3AEGFRSRCCYP3A4
SCHEMBL28982482 0.71 SRC (0.51) EGFRSRCCYP3A4MAPTGAA

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 4 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100261740-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT MKI67, CDKL5, CCNI PDE3B 2359/4885PDE3A 2496/4885EGFR 1110/4885

“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.