SCHEMBL769068

SCHEMBL769068

CCOc1ccc(-n2c(C#N)nc3cc(N(C)c4ccc(CC)cc4)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
CNR2 P34972 7/20 0.38
CACNA2D1 P54289 1/20 0.38
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KDR P35968 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOD2 Q9HC29 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL769069 0.81 MAPT (0.59) TP53CNR2MAPTALDH1A1MEN1
SCHEMBL769460 0.77 MCHR1 (0.38) TP53PDGFRBKDRMAPTALDH1A1
Ammonia Solution, Strong SCHEMBL770694 0.68 CNR2 (0.44) TP53CNR2CACNA2D1MAPTALDH1A1
SCHEMBL769888 0.66 MAPT (0.72) TP53MAPTALDH1A1MEN1MAPK1
SCHEMBL770119 0.65 MAPT (0.62) TP53CACNA2D1MAPTALDH1A1MEN1
SCHEMBL14463784 0.65 TP53 (0.46) TP53CNR2CACNA2D1MAPTALDH1A1
SCHEMBL13316967 0.65 NQO1 (0.67) PDGFRBPDGFRAKDRMAPTALDH1A1
SCHEMBL3433222 0.65 CACNA2D1 (0.38) CNR2CACNA2D1MAPTALDH1A1MEN1
SCHEMBL769876 0.64 MAPT (0.60) TP53CNR2MAPTALDH1A1MEN1
SCHEMBL27599858 0.63 CYP1A2 (0.40) TP53CNR2CACNA2D1MAPTALDH1A1

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-8871746-B2 Antiviral drugs for treatment of arenavirus infection Kineta Four, LLC (US) 2014-10-28 US claimed
US-20120071447-A1 Antiviral Drugs for Treatment of Arenavirus Infection SIGA TECHNOLOGIES INC. (US) 2012-03-22 US claimed
US-8871746-B2 Antiviral drugs for treatment of arenavirus infection Kineta Four, LLC (US) 2014-10-28 US disclosed
US-20120071447-A1 Antiviral Drugs for Treatment of Arenavirus Infection SIGA TECHNOLOGIES INC. (US) 2012-03-22 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-20120071447-A1 Antiviral Drugs for Treatment of Arenavirus Infection ZC3HAV1, GZMB, GTF3C3 TP53 2392/4885CNR2 4354/4885CACNA2D1 4514/4885

“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.