SCHEMBL1793422

SCHEMBL1793422

Fc1ccc(-c2ccc3nc(NCc4cc(F)cc(-n5cncn5)c4)nc(NCC(F)(F)F)c3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.33
ADORA2A P29274 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAP4K4 O95819 8/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAOA P21397 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
SCHEMBL1792108 0.91 TP53 (0.38) KDM4ETSHRMAPK1HSD17B10TP53
SCHEMBL5116589 0.91 KDM4E (0.38) KDM4ETSHRMAPK1HSD17B10TP53
SCHEMBL1790309 0.89 KDM4E (0.36) KDM4ETSHRMAPK1HSD17B10TP53
SCHEMBL12612143 0.86 KDM4E (0.35) KDM4ETSHRMAPK1HSD17B10TP53
SCHEMBL1789891 0.85 KDM4E (0.35) KDM4ETSHRMAPK1HSD17B10ADORA2A
SCHEMBL5115971 0.81 MAPT (0.46) KDM4ETSHRHSD17B10TP53SMN1; SMN2
SCHEMBL5112744 0.80 GPR55 (0.38) KDM4ETSHRMAPK1HSD17B10CCNE2
SCHEMBL5114180 0.79 KDM4E (0.43) KDM4ETSHRMAPK1HSD17B10TP53
SCHEMBL5116456 0.79 NAMPT (0.41) KDM4ETSHRMAPK1HSD17B10MAP4K4
SCHEMBL1794018 0.79 TP53 (0.39) MAPK1TP53SMN1; SMN2MAPTADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US claimed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 US 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-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, CYP2S1, DPYD KDM4E 3849/4885TSHR 2245/4885MAPK1 2045/4885

“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.