SCHEMBL825529

SCHEMBL825529

Nc1nc(OCCCCF)c2nc(Cl)ccc2n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.33
MPO P05164 4/20 0.33
CDK1 P06493 4/20 0.32
CCNB1 P14635 4/20 0.32
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CCNA1 P78396 3/20 0.32
DHFR P00374 1/20 0.32
PDE2A O00408 1/20 0.31
CHEK1 O14757 1/20 0.31
PIN1 Q13526 1/20 0.30

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
SCHEMBL826561 0.96 MPO (0.33) NOS1MPOCDK1CCNB1CCNA2
SCHEMBL823732 0.92 MPO (0.34) MPODHFR
SCHEMBL826312 0.83 CDK1 (0.43) NOS1MPOCDK1CCNB1CCNA2
SCHEMBL823730 0.82 TSHR (0.43) MPODHFR
SCHEMBL823646 0.80 SMN1; SMN2 (0.39) MPODHFR
SCHEMBL4524519 0.79 MPO (0.36) MPODHFR
SCHEMBL4007574 0.76 CDK1 (0.45) MPOCDK1CCNB1CCNA2CDK2
SCHEMBL4534204 0.75 CDK2 (0.44) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL4524515 0.75 DHFR (0.34) DHFR
SCHEMBL4524520 0.74 SLC2A1 (0.32) DHFR

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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US claimed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP NOS1 4289/4885MPO 4543/4885CDK1 2142/4885

“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.