SCHEMBL5122084

SCHEMBL5122084

CN1CCN(c2ccc(CNc3nc(NCC(F)(F)F)c4nc(-c5ccc(F)cc5)ccc4n3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.42
HTR6 P50406 1/20 0.42
GBA1 P04062 1/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCND3 P30281 1/20 0.40
CDK6 Q00534 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
NPC1 O15118 1/20 0.40
XBP1 P17861 1/20 0.40
RAB9A P51151 1/20 0.40
KLF5 Q13887 1/20 0.40
HRH1 P35367 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
NTRK1 P04629 1/20 0.39
MAP4K1 Q92918 2/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39

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
SCHEMBL5114922 0.92 TP53 (0.38) MAPTKDM4ESMN1; SMN2HRH3NTRK1
SCHEMBL5115971 0.87 MAPT (0.46) MAPTKDM4ESMN1; SMN2NTRK1ALOX15
SCHEMBL4411867 0.86 CCND3 (0.42) HRH4HTR6GBA1CCND3CDK6
SCHEMBL15698681 0.82 TP53 (0.42) MAPTKDM4ESMN1; SMN2NTRK1
SCHEMBL5116589 0.81 KDM4E (0.38) MAPTKDM4ESMN1; SMN2NTRK1CDK2
SCHEMBL5122262 0.81 TP53 (0.38) MAPTKDM4ESMN1; SMN2ALOX15
SCHEMBL5108262 0.80 ROCK2 (0.36) MAPTSMN1; SMN2NTRK1CCNA2CDK2
SCHEMBL5122839 0.79 CCNE1 (0.47) MAPTKDM4ESMN1; SMN2NTRK1CDK2
SCHEMBL5114566 0.79 PTGS2 (0.46) MAPTSMN1; SMN2
SCHEMBL5112341 0.78 PTGS2 (0.48) MAPTKDM4ESMN1; SMN2NPC1

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 HRH4 184/4885HTR6 922/4885GBA1 3702/4885

“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.