SCHEMBL10012042

SCHEMBL10012042

CCCOc1cc2ncnc(-c3nnnn3Cc3nc(C)c[nH]3)c2cc1OCCC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.39
EGFR P00533 7/20 0.35
KDM1A O60341 7/20 0.34
PDE3A Q14432 1/20 0.31
KDR P35968 1/20 0.30

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
SCHEMBL10012996 0.92 ENPP1 (0.37) ENPP1EGFR
SCHEMBL2836576 0.78 ENPP1 (0.39) ENPP1EGFRKDM1APDE3AKDR
SCHEMBL2833438 0.78 P2RX7 (0.43) ENPP1EGFRKDM1APDE3AKDR
SCHEMBL2837582 0.76 EGFR (0.42) ENPP1EGFRKDM1AKDR
SCHEMBL13091013 0.76 ENPP1 (0.38) ENPP1EGFRKDM1APDE3A
SCHEMBL2830929 0.73 ABCG2 (0.44) ENPP1EGFR
SCHEMBL2836613 0.69 EGFR (0.39) ENPP1EGFR
SCHEMBL2836110 0.69 P2RX7 (0.44) ENPP1EGFR
SCHEMBL2833476 0.68 EGFR (0.39) EGFRKDR
SCHEMBL2840274 0.67 ENPP1 (0.49) ENPP1EGFRKDM1APDE3A

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 1 patent. 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

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-20120172380-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT MKI67, CDKL5, CCNI ENPP1 2315/4885EGFR 1213/4885KDM1A 1986/4885

“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.