SCHEMBL3609937

SCHEMBL3609937

CC(=O)Nc1nc(OCC2CCCCO2)c2nc(Cl)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.43
GRM4 Q14833 2/20 0.43
TSHR P16473 1/20 0.41
PLK1 P53350 1/20 0.41
CNR2 P34972 3/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GRM5 P41594 2/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL3617502 0.97 TSHR (0.44) ACACBGRM4TSHRCNR2NPC1
SCHEMBL3612994 0.82 GRM4 (0.47) GRM4GRM5
SCHEMBL4119354 0.78 MAPK8 (0.40) TSHRNPC1ALDH1A1KDM4EMEN1
SCHEMBL3607933 0.77 HDAC3 (0.39) ACACBIRAK4ALDH1A1HPGDLMNA
SCHEMBL4108612 0.76 MAPK8 (0.37) KDM4EMEN1HPGDKMT2ALMNA
SCHEMBL4584986 0.76 POLB (0.38) TSHRCNR2IRAK4NPC1RAB9A
SCHEMBL4113077 0.76 MAPK8 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3612465 0.76 IRAK4 (0.48) ACACBGRM4IRAK4GRM5
SCHEMBL4517525 0.75 CYP1A2 (0.37) GRM4TSHRALDH1A1MEN1KMT2A
SCHEMBL4114488 0.75 MAPK8 (0.40) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US claimed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US claimed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US disclosed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO disclosed
WO-2008077650-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-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK ACACB 4555/4885GRM4 2752/4885TSHR 1507/4885

“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.