SCHEMBL5123076

SCHEMBL5123076

CCOc1nc(NCc2cccc(Cl)c2F)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.35
CD38 P28907 1/20 0.35
P2RX7 Q99572 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TGFBR1 P36897 1/20 0.34
MAPT P10636 4/20 0.33
TP53 P04637 3/20 0.33
LMNA P02545 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
SLC2A1 P11166 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL14140181 0.90 MAP4K4 (0.36) MAP4K4MAPTTP53PDCD1LG2CD274
SCHEMBL5116297 0.86 ARNT (0.39) MAP4K4P2RX7JAK3MAPTTP53
SCHEMBL5115933 0.85 SGK1 (0.34) MAP4K4MAPTTP53PDCD1LG2CD274
SCHEMBL5116226 0.83 NTRK1 (0.42) MAPTTP53SLC2A1ALDH1A1GAA
SCHEMBL5123850 0.82 MAPT (0.43) CYP2D6CYP2C9CYP2C19MAPTTP53
SCHEMBL4573278 0.82 MAP4K4 (0.42) MAP4K4CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5116006 0.82 GAA (0.43) MAP4K4GAA
SCHEMBL4573442 0.82 TP53 (0.47) MAPTTP53LMNAALDH1A1GAA
SCHEMBL4573823 0.81 MAP4K4 (0.43) MAP4K4CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5110852 0.81 DYRK1A (0.40) MAPTTP53ADORA2ATDP1

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 6 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

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 1899/4885CD38 2632/4885P2RX7 80/4885

“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.