SCHEMBL3336025

SCHEMBL3336025

Nc1nc(OCCF)c2cc(-c3ccc(C(=O)N4CCCCC4)cc3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 15/20 0.45
MAPK1 P28482 1/20 0.43
CSF1R P07333 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ADORA2A P29274 1/20 0.41
GRM2 Q14416 1/20 0.40

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
SCHEMBL3338041 0.90 HPGD (0.40) HPGDADORA2A
SCHEMBL5129389 0.89 BMPR1B (0.43) HPGDCSF1R
SCHEMBL3336761 0.88 HPGD (0.51) HPGDMAPK1CSF1R
SCHEMBL3335650 0.87 HPGD (0.50) HPGDMAPK1CSF1RHRH3
SCHEMBL3331181 0.87 DPP4 (0.37) HPGD
SCHEMBL3338474 0.82 HPGD (0.44) HPGDMAPK1CSF1R
SCHEMBL5127579 0.81 HPGD (0.44) HPGDMAPK1HRH3
SCHEMBL5129596 0.81 HPGD (0.35) HPGD
SCHEMBL3335512 0.81 DPP4 (0.38) HPGD
SCHEMBL5140172 0.81 GABRA5 (0.35) HPGD

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 HPGD 3242/4885MAPK1 3259/4885CSF1R 2682/4885

“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.