SCHEMBL16826194

SCHEMBL16826194

Cc1ccc(CN2CCN(c3nc(N)n[nH]3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ GAA P10253 3/20 0.46
▸ TSHR P16473 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ CXCR4 P61073 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTR6 P50406 1/20 0.40

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
SCHEMBL16825972 0.89 LMNA (0.51) ALDH1A1LMNAGAATSHRHTT
SCHEMBL16825881 0.86 KDM4E (0.52) GAAMAPK1L3MBTL1
SCHEMBL16826410 0.86 GAA (0.62) ALDH1A1LMNAGAATSHRHTT
SCHEMBL16825870 0.85 ALDH1A1 (0.51) ALDH1A1LMNAGAATSHRHTT
SCHEMBL16826083 0.85 HRH4 (0.46) LMNAGAAMEN1KMT2AHRH4
SCHEMBL16826336 0.84 TNKS (0.50) POLBGAATSHRHTTMEN1
SCHEMBL16825734 0.84 ALDH1A1 (0.54) ALDH1A1GAATSHRHTTMEN1
SCHEMBL16825853 0.84 TSHR (0.56) GAATSHRHTTMEN1KMT2A
SCHEMBL16825750 0.83 POLB (0.52) ALDH1A1LMNAPOLBHTTMEN1
SCHEMBL16825711 0.83 USP2 (0.47) GAATSHRMEN1KMT2AHRH4

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 1006/4885LMNA 3856/4885POLB 3344/4885

“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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