SCHEMBL3598976

SCHEMBL3598976

Nc1nc(OCC2CC=CCC2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CCNA2 P20248 2/20 0.48
CCNA1 P78396 2/20 0.48
PDE5A O76074 1/20 0.36
MAP4K4 O95819 9/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MPO P05164 1/20 0.32
DHFR P00374 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
GAK O14976 1/20 0.31
MAPK14 Q16539 1/20 0.31
DCPS Q96C86 1/20 0.31

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
SCHEMBL3610322 0.88 PDE5A (0.40) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL3608999 0.86 CDK2 (0.46) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL13500406 0.82 MAP4K4 (0.44) PDE5AMAP4K4DHFRDCPS
SCHEMBL13500404 0.78 MAPK14 (0.40) PDE5AALDH1A1TSHRMAPK14
SCHEMBL3615790 0.77 GRIN2B (0.41) PDE5AMAP4K4ALDH1A1TSHRMAPK14
SCHEMBL4122428 0.77 MPO (0.39) MAP4K4MPODHFRALDH1A1GAK
SCHEMBL3614537 0.76 PDE5A (0.40) PDE5AMAP4K4DHFRGAK
SCHEMBL3609165 0.76 PDE5A (0.38) PDE5AMAP4K4DHFRGAK
SCHEMBL4524522 0.76 MAPT (0.46) MAP4K4MPODHFRALDH1A1
SCHEMBL4529689 0.76 MPO (0.55) MAOBMPODHFRLMNADCPS

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 3 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

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 CDK2 38/4885CDK1 176/4885CCNB1 256/4885

“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.