SCHEMBL16825734

SCHEMBL16825734

Cc1cccc(CN2CCN(c3nc(N)n[nH]3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.54
▸ KDM4E B2RXH2 4/20 0.53
▸ MAPT P10636 1/20 0.53
▸ GPR6 P46095 2/20 0.50
▸ HRH4 Q9H3N8 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTR6 P50406 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ PHGDH O43175 1/20 0.44

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
SCHEMBL16825908 0.85 SIGMAR1 (0.57) ALDH1A1KDM4EMAPTHRH4HTT
SCHEMBL16826194 0.84 ALDH1A1 (0.50) ALDH1A1HRH4HTTTSHRMEN1
SCHEMBL16826410 0.84 GAA (0.62) ALDH1A1KDM4EMAPTHTTTSHR
SCHEMBL16826098 0.82 KDM4E (0.55) ALDH1A1KDM4EHTTGAAPHGDH
SCHEMBL16826206 0.80 TP53 (0.42) ALDH1A1KDM4EGPR6HTT
SCHEMBL11206897 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTGPR6HTT
SCHEMBL16825972 0.79 LMNA (0.51) ALDH1A1KDM4EMAPTHTTTSHR
SCHEMBL16826236 0.79 SIGMAR1 (0.54) HRH4GAAHTR6
SCHEMBL16826054 0.78 DHFR (0.37) MAPTHTTTSHRMEN1KMT2A
SCHEMBL16826336 0.78 TNKS (0.50) KDM4EHTTTSHRMEN1KMT2A

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 1006/4885KDM4E 2405/4885MAPT 2060/4885

“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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