SCHEMBL16825972

SCHEMBL16825972

Nc1ccc(CN2CCN(c3nc(N)n[nH]3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TNKS O95271 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ PARP4 Q9UKK3 1/20 0.40
▸ PARP3 Q9Y6F1 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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 0.89 ALDH1A1 (0.50) LMNAALDH1A1GAATSHRHTT
SCHEMBL16825881 0.89 KDM4E (0.52) GAAKDM4EMAPTL3MBTL1
SCHEMBL16826410 0.88 GAA (0.62) LMNAALDH1A1GAATSHRHTT
SCHEMBL16826336 0.87 TNKS (0.50) GAATSHRHTTTNKSPARP1
SCHEMBL16826236 0.85 SIGMAR1 (0.54) LMNAGAA
SCHEMBL16825711 0.85 USP2 (0.47) GAATSHRUSP2MEN1KMT2A
SCHEMBL16825870 0.85 ALDH1A1 (0.51) LMNAALDH1A1GAATSHRHTT
SCHEMBL16826083 0.85 HRH4 (0.46) LMNAGAAMEN1KMT2A
SCHEMBL16825853 0.84 TSHR (0.56) GAATSHRHTTMEN1KMT2A
SCHEMBL16825750 0.83 POLB (0.52) LMNAALDH1A1HTTKDM4EHSD17B10

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 LMNA 3856/4885ALDH1A1 1006/4885GAA 195/4885

“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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