SCHEMBL826561

SCHEMBL826561

Nc1nc(OCCCF)c2nc(Cl)ccc2n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.33
DHFR P00374 2/20 0.33
CHEK1 O14757 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOS1 P29475 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
PIN1 Q13526 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
SCHEMBL825529 0.96 NOS1 (0.33) MPODHFRCHEK1NOS1CDK1
SCHEMBL823732 0.93 MPO (0.34) MPODHFRMAPT
SCHEMBL826312 0.84 CDK1 (0.43) MPODHFRNOS1CDK1CCNB1
SCHEMBL823730 0.83 TSHR (0.43) MPODHFR
SCHEMBL823646 0.81 SMN1; SMN2 (0.39) MPODHFRSMN1; SMN2
SCHEMBL4524519 0.80 MPO (0.36) MPODHFRMAPTMBOAT4
SCHEMBL4007574 0.77 CDK1 (0.45) MPODHFRMAPTCDK1CCNB1
SCHEMBL4534204 0.76 CDK2 (0.44) DHFRCDK1CCNB1CCNA2CDK2
SCHEMBL4524515 0.76 DHFR (0.34) DHFR
SCHEMBL4524520 0.75 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 4 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
WO-2008077649-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTONS 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP MPO 4543/4885DHFR 32/4885CHEK1 1311/4885

“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.