SCHEMBL3607933

SCHEMBL3607933

CC(=O)Nc1nc(OC2CCCCC2)c2nc(Cl)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.39
CDK9 P50750 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC1 Q13547 4/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NTRK1 P04629 1/20 0.38
FLT3 P36888 1/20 0.38
RORC P51449 1/20 0.37
P2RX7 Q99572 1/20 0.34
GRM5 P41594 3/20 0.34
CNR1 P21554 1/20 0.34
ACACB O00763 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
TTK P33981 1/20 0.33

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
SCHEMBL3612465 0.89 IRAK4 (0.48) IRAK4NTRK1FLT3RORCGRM5
SCHEMBL825700 0.86 MAPK8 (0.46) IRAK4NTRK1FLT3GRM5ACACB
SCHEMBL823740 0.86 MAPK8 (0.46) IRAK4NTRK1FLT3GRM5ACACB
SCHEMBL4524926 0.78 CNR1 (0.42) CYP2D6CYP2C9NTRK1FLT3CNR1
SCHEMBL3609937 0.77 ACACB (0.43) IRAK4GRM5ACACBALDH1A1LMNA
SCHEMBL4119354 0.77 MAPK8 (0.40) RORCALDH1A1LMNAHPGDMAPK8
SCHEMBL823611 0.77 RORC (0.39) RORCALDH1A1HPGDMAPK8MAPK9
SCHEMBL3617502 0.76 TSHR (0.44) GRM5CNR1ACACBALDH1A1LMNA
SCHEMBL4096047 0.76 POLB (0.36) CYP2D6CYP2C9CNR1ALDH1A1LMNA
SCHEMBL4113077 0.75 MAPK8 (0.39) ALDH1A1LMNAMAPK8MAPK9

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 HDAC3 1616/4885CDK9 294/4885HDAC6 3516/4885

“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.