SCHEMBL5116456

SCHEMBL5116456

Fc1ccc(-c2ccc3nc(NCCn4cncn4)nc(NCC(F)(F)F)c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
CYP19A1 P11511 4/20 0.35
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAP4K4 O95819 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
TDO2 P48775 1/20 0.32
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP51A1 Q16850 1/20 0.31
BCDIN3D Q7Z5W3 3/20 0.30
KMT2A Q03164 1/20 0.30
CYP17A1 P05093 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
SCHEMBL5122262 0.83 TP53 (0.38) KDM4ETSHRHSD17B10MAP4K4CYP3A4
SCHEMBL5116589 0.81 KDM4E (0.38) KDM4ETSHRMAPK1HSD17B10KMT2A
SCHEMBL5114885 0.80 NPC1 (0.52) KDM4ETSHRMAPK1HSD17B10MAP4K4
SCHEMBL1793422 0.79 KDM4E (0.38) KDM4ETSHRMAPK1HSD17B10MAP4K4
SCHEMBL5115971 0.79 MAPT (0.46) KDM4ETSHRHSD17B10LMNAKMT2A
SCHEMBL5111443 0.79 KCNH3 (0.45) KDM4ETSHRMAPK1HSD17B10MAP4K4
SCHEMBL1792108 0.78 TP53 (0.38) KDM4ETSHRMAPK1HSD17B10MAP4K4
SCHEMBL14140290 0.78 SYK (0.36) KDM4ETSHRHSD17B10MAP4K4CYP3A4
SCHEMBL5114180 0.78 KDM4E (0.43) NAMPTKDM4ETSHRMAPK1HSD17B10
SCHEMBL5112291 0.77 SYK (0.36) KDM4ETSHRLMNASCN9AMKNK1

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 NAMPT 106/4885CYP19A1 2828/4885KDM4E 3976/4885

“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.