SCHEMBL2840274

SCHEMBL2840274

CCCOc1cc2ncnc(-c3nnn[nH]3)c2cc1OCCC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.49
EGFR P00533 9/20 0.42
KDM1A O60341 7/20 0.38
GAK O14976 1/20 0.36
KIT P10721 1/20 0.35
PDE3A Q14432 1/20 0.35
SRC P12931 1/20 0.34

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 0.90 ENPP1 (0.47) ENPP1EGFR
SCHEMBL2835023 0.84 KIT (0.46) ENPP1EGFRKDM1AGAKKIT
SCHEMBL10316371 0.70 ENPP1 (0.60) ENPP1EGFRKDM1AGAKPDE3A
SCHEMBL2837532 0.70 ENPP1 (0.88) ENPP1EGFRKDM1AGAK
Hydrochloric Acid SCHEMBL2833454 0.68 ENPP1 (0.57) ENPP1EGFRKDM1AGAKPDE3A
SCHEMBL24393305 0.67 ENPP1 (0.72) ENPP1EGFRGAKPDE3ASRC
SCHEMBL2836489 0.67 ENPP1 (0.56) ENPP1EGFRKDM1AGAKSRC
SCHEMBL6961624 0.67 PDE5A (0.51)
SCHEMBL10012042 0.67 ENPP1 (0.39) ENPP1EGFRKDM1APDE3A
SCHEMBL10316186 0.66 ENPP1 (0.55) ENPP1EGFRKDM1A

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 claimed
US-8080558-B2 4-(tetrazol-5-yl)-quinazoline derivatives as anti-cancer agent NATCO PHARMA LIMITED (IN) 2011-12-20 US claimed
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 1213/4885KDM1A 1986/4885
US-20100261740-A1 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENT MKI67, CDKL5, CCNI ENPP1 2397/4885EGFR 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.