SCHEMBL16825870

SCHEMBL16825870

CN(C)c1ccc(CN2CCN(c3nc(N)n[nH]3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ AURKA O14965 1/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HSP90AB1 P08238 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ ABCC1 P33527 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ GFER P55789 1/20 0.37

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
SCHEMBL16826194 0.85 ALDH1A1 (0.50) ALDH1A1GAAMAPK1TSHRHTT
SCHEMBL16825972 0.85 LMNA (0.51) ALDH1A1GAAKDM4EMAPTTSHR
SCHEMBL16826185 0.83 GAA (0.39) ALDH1A1GAAKDM4EMAPK1TSHR
SCHEMBL16826422 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EAURKAMAPTHTT
SCHEMBL16825881 0.83 KDM4E (0.52) GAAKDM4EMAPK1MAPT
SCHEMBL16826410 0.82 GAA (0.62) ALDH1A1GAAKDM4EMAPK1MAPT
SCHEMBL16826083 0.82 HRH4 (0.46) GAALMNAHRH4MEN1KMT2A
SCHEMBL16826336 0.81 TNKS (0.50) GAAKDM4EAURKAMAPK1TSHR
SCHEMBL16825974 0.81 GAA (0.36) ALDH1A1GAAKDM4EAURKAMAPT
SCHEMBL16825891 0.81 AURKA (0.39) ALDH1A1GAAAURKAMAPK1TSHR

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 ALDH1A1 1006/4885GAA 195/4885KDM4E 2405/4885

“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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