SCHEMBL3334827

SCHEMBL3334827

Nc1nc(OCC2CCC2)c2cc(-c3cc4ccccc4o3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.43
TNK2 Q07912 1/20 0.42
CDK2 P24941 9/20 0.41
CCNA2 P20248 8/20 0.41
CCNA1 P78396 5/20 0.41
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNB3 Q05901 1/20 0.39
GRM4 Q14833 1/20 0.37
ALOX5 P09917 1/20 0.37
CDK1 P06493 3/20 0.37
CCNB1 P14635 3/20 0.37
APP P05067 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CCNB2 O95067 1/20 0.36
MAPK3 P27361 1/20 0.36
CLK1 P49759 1/20 0.36

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
SCHEMBL3334070 0.82 CDK2 (0.59) TRIM58CDK2CCNA2CCNA1CDK1
SCHEMBL3336794 0.81 KDM4E (0.40) CDK2CCNA2GRM4ALOX5APP
SCHEMBL3333188 0.78 CDK2 (0.54) TRIM58CDK2CCNA2CCNA1CDK1
SCHEMBL3336663 0.78 BCHE (0.46)
SCHEMBL3337015 0.78 TRIM58 (0.47) TRIM58CDK2CCNA2CCNA1CDK1
SCHEMBL3338737 0.78 TRIM58 (0.47) TRIM58CDK2CCNA2CCNA1CDK1
SCHEMBL3332879 0.78 TRIM58 (0.50) TRIM58CDK2CCNA2CCNA1CDK1
SCHEMBL3337900 0.77 TRIM58 (0.43) TRIM58CDK2CCNA2CCNA1CDK1
SCHEMBL3338187 0.77 MEN1 (0.47) TNK2MAOB
SCHEMBL3331728 0.77 ALOX5 (0.41) CDK2CCNA2GRM4ALOX5CCNT1

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
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
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 disclosed
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 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 TRIM58 1431/4885TNK2 2354/4885CDK2 646/4885

“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.