SCHEMBL5111427

SCHEMBL5111427

Fc1ccc(-c2ccc3nc(NCc4cccnc4)nc(NCC(F)(F)F)c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE5A O76074 5/20 0.46
CYP3A4 P08684 5/20 0.44
CYP2D6 P10635 5/20 0.44
CYP2C19 P33261 5/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C9 P11712 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CLK4 Q9HAZ1 2/20 0.41
USP2 O75604 2/20 0.41

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
SCHEMBL1791755 0.90 PDE5A (0.52) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL5115971 0.88 MAPT (0.46) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL5122262 0.85 TP53 (0.38) ALDH1A1KDM4ESMN1; SMN2LMNANPSR1
SCHEMBL5108478 0.84 PDE5A (0.48) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL15698681 0.83 TP53 (0.42) KDM4ESMN1; SMN2HTTCYP3A4CYP2C19
SCHEMBL4573372 0.83 CYP3A4 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL5121231 0.81 KCNA5 (0.43) SMN1; SMN2PDE5ATP53SCN9A
SCHEMBL5108000 0.81 MAPT (0.39) ALDH1A1KDM4ESMN1; SMN2LMNATP53
SCHEMBL14140290 0.80 SYK (0.36) ALDH1A1KDM4ESMN1; SMN2LMNACYP3A4
SCHEMBL1794018 0.80 TP53 (0.39) SMN1; SMN2LMNAHTTNPSR1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP ALDH1A1 1142/4885KDM4E 3976/4885SMN1; SMN2 2183/4885

“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.