SCHEMBL3340207

SCHEMBL3340207

COc1ccc(-c2ccc3nc(N)nc(OCCN4CCOCC4)c3c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.55
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
PDPK1 O15530 1/20 0.47
ADORA2A P29274 2/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
GAK O14976 1/20 0.45
BCHE P06276 1/20 0.45
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL3338145 0.85 ACHE (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3334174 0.85 ADORA2A (0.54) ADORA2AALDH1A1BCHEMAOAACHE
SCHEMBL3337915 0.85 PIK3CA (0.57) KITPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3336155 0.83 CYP1A2 (0.54) ADORA2AALDH1A1HSD17B10BCHEMAOA
SCHEMBL3339979 0.83 KIT (0.48) KITPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3339832 0.82 HRH1 (0.45) ADORA2AALDH1A1BCHEMAOAACHE
SCHEMBL3337376 0.81 DHFR (0.46) KITHSD17B10KDM4EMAOBPI4KB
SCHEMBL3334911 0.81 DHFR (0.46) SMN1; SMN2HSD17B10KDM4EGAKMEN1
SCHEMBL3339873 0.81 MOK (0.50) KDM4E
SCHEMBL3339040 0.80 ALDH1A1 (0.48) ADORA2AALDH1A1SMN1; SMN2KDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US claimed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US claimed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 KIT 2205/4885PRKAB2 4555/4885PRKAG1 4691/4885

“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.