SCHEMBL5115629

SCHEMBL5115629

Fc1ccc(-c2ccc3nc(Cl)nc(NC4CC4)c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.49
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
HDAC1 Q13547 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CDK4 P11802 1/20 0.38
NPR1 P16066 1/20 0.38
KMT2A Q03164 1/20 0.37
GAK O14976 1/20 0.37
MAPK14 Q16539 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4528583 0.79 MAP4K4 (0.49) MAP4K4HDAC1ADORA3ADORA2AADORA1
SCHEMBL4352010 0.78 GABBR2 (0.68) MAP4K4GABBR2GABBR1NPR1IRAK4
SCHEMBL4520421 0.78 MAP4K4 (0.50) MAP4K4GABBR2GABBR1HDAC1KMT2A
SCHEMBL5122676 0.78 MAP4K4 (0.50) MAP4K4GABBR2GABBR1GAKMAPK14
SCHEMBL4105791 0.77 GAK (0.39) MAP4K4GABBR2GABBR1ADORA2AADORA1
SCHEMBL3930763 0.77 HRH4 (0.50) MAP4K4HDAC1KDM4EALDH1A1CYP3A4
SCHEMBL1792683 0.76 GAK (0.40) KMT2AGAKKDM4EALDH1A1HPGD
SCHEMBL1793840 0.76 SYK (0.36) MAP4K4GABBR2GABBR1ADORA2AGAK
SCHEMBL1789679 0.76 LATS1 (0.38) MAP4K4GABBR2GABBR1GAKMKNK1
SCHEMBL1790159 0.74 MEN1 (0.40) KMT2AGAKKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP MAP4K4 1899/4885GABBR2 1866/4885GABBR1 2007/4885

“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.