SCHEMBL16826054

SCHEMBL16826054

Cc1cc(C)c(CN2CCN(c3nc(N)n[nH]3)CC2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYBB P04839 2/20 0.35
▸ NOX4 Q9NPH5 2/20 0.35
▸ NOX5 Q96PH1 1/20 0.35
▸ NOX3 Q9HBY0 1/20 0.35
▸ NOX1 Q9Y5S8 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ TNKS O95271 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DRD4 P21917 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
SCHEMBL16826206 0.81 TP53 (0.42) HTTMAPK1ALOX15L3MBTL1CYBB
SCHEMBL16826194 0.80 ALDH1A1 (0.50) TSHRHTTMAPK1L3MBTL1GAA
SCHEMBL16825734 0.78 ALDH1A1 (0.54) TSHRHTTGAAMEN1KMT2A
SCHEMBL16825859 0.77 KMT2A (0.52) HTTTNKSPARP1TNKS2HRH3
SCHEMBL16825903 0.76 KDM4E (0.54) HRH3GAAMEN1KMT2ADRD4
SCHEMBL28844132 0.75 ALDH1A1 (0.38) TSHRHTTMAPK1EPHX2TNKS
SCHEMBL16825972 0.73 LMNA (0.51) TSHRHTTL3MBTL1TNKSPARP1
SCHEMBL16826410 0.73 GAA (0.62) TSHRHTTMAPK1L3MBTL1HRH3
SCHEMBL16826336 0.72 TNKS (0.50) TSHRHTTMAPK1TNKSPARP1
SCHEMBL16825883 0.72 KDM4E (0.51) TSHRALOX15MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP claimed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US claimed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO claimed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC DHFR 1842/4885TSHR 3816/4885HTT 4729/4885

“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.

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