SCHEMBL5121639

SCHEMBL5121639

CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(C(=O)NC(C)(C)CN4CCOCC4)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.43
NAMPT P43490 2/20 0.42
JAK1 P23458 2/20 0.41
HDAC1 Q13547 2/20 0.40
MCHR1 Q99705 2/20 0.39
DGAT2 Q96PD7 1/20 0.39
HDAC4 P56524 1/20 0.39
HTR2C P28335 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GNRHR P30968 1/20 0.37
PDE5A O76074 2/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL5116196 0.94 HDAC4 (0.44) MAP4K4MCHR1HDAC4HTR2CCTNNB1
SCHEMBL5121915 0.86 MAP4K4 (0.46) MAP4K4HDAC1DGAT2HDAC4MAPT
SCHEMBL5116007 0.84 CA1 (0.41) HDAC4
SCHEMBL5122080 0.81 HDAC4 (0.42) MAP4K4NAMPTJAK1HDAC1MCHR1
SCHEMBL14131625 0.81 SMN1; SMN2 (0.47) KDM4EALDH1A1MAPTCTNNB1TCF7L2
SCHEMBL5108593 0.80 LMNA (0.53) MAP4K4NAMPTLMNAMAPTPDE5A
SCHEMBL5107465 0.79 CTNNB1 (0.47) NAMPTMCHR1MAPTHPGDCTNNB1
SCHEMBL5117245 0.79 VNN1 (0.39) HDAC1MAPTCTNNB1TCF7L2
SCHEMBL5114661 0.79 VNN1 (0.39) HDAC1MAPTCTNNB1TCF7L2
SCHEMBL5123850 0.78 MAPT (0.43) KDM4EALDH1A1GAAMAPTHPGD

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 7 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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
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
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO 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 1899/4885NAMPT 106/4885JAK1 574/4885

“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.