SCHEMBL769460

SCHEMBL769460

COc1ccc(-n2c(C#N)nc3cc(N(C)c4ccc(C(C)C)cc4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.38
NPBWR1 P48145 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CASR P41180 1/20 0.34
DHFR P00374 2/20 0.33
IDH1 O75874 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ITK Q08881 1/20 0.33
TDP2 O95551 1/20 0.33
HPGD P15428 1/20 0.33
PIK3CD O00329 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33

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
SCHEMBL769459 0.79 RAB9A (0.53) SMN1; SMN2ALDH1A1TP53GAAMAPT
SCHEMBL769068 0.77 TP53 (0.40) SMN1; SMN2ALDH1A1TP53MAPTKDM4E
SCHEMBL769874 0.63 MAPT (0.51) SMN1; SMN2ALDH1A1TP53GAAMAPT
SCHEMBL20800817 0.62 CYP2A6 (0.40) ALDH1A1DHFRKDM4C
SCHEMBL13241213 0.62 MAOA (0.50) ALDH1A1MAPTKDM4CKDM4EHPGD
SCHEMBL22014949 0.61 SLC2A1 (0.55) SMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL17987018 0.61 SLC2A1 (0.55) SMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL7070889 0.61 NQO1 (0.44) SMN1; SMN2ALDH1A1NPSR1TP53GAA
SCHEMBL114319 0.61 CA1 (0.61) SMN1; SMN2ALDH1A1DHFRTP53MAPT
SCHEMBL84040 0.61 RAB9A (0.62) SMN1; SMN2ALDH1A1NPSR1GAAMAPT

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 MCHR1 4060/4885NPBWR1 3422/4885SMN1; SMN2 682/4885

“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.