SCHEMBL16826046

SCHEMBL16826046

Nc1n[nH]c(N2CCN(Cc3cccc4ccccc34)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.54
▸ DRD2 P14416 2/20 0.52
▸ DRD4 P21917 2/20 0.52
▸ DRD3 P35462 2/20 0.52
▸ PTPN1 P18031 1/20 0.51
▸ ACHE P22303 1/20 0.49
▸ AURKA O14965 1/20 0.45
▸ OPRL1 P41146 2/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ FAAH O00519 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MGLL Q99685 1/20 0.42

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
SCHEMBL16826091 0.83 POLB (0.56) OPRK1HTTATMMAPTHTR6
SCHEMBL16825859 0.83 KMT2A (0.52) ACHEHTTATMHTR6HRH4
SCHEMBL16826410 0.80 GAA (0.62) DRD4HTTMAPTMAPK1KDM4E
SCHEMBL16825748 0.78 MEN1 (0.60) DRD4ACHEHTTKDM4E
SCHEMBL16826314 0.77 EPHX2 (0.51) MAPTKDM4E
SCHEMBL16825903 0.76 KDM4E (0.54) DRD2DRD4DRD3HTR6HRH4
SCHEMBL16826043 0.76 HTR1A (0.54) DRD4FAAHMAPTKDM4EGAA
SCHEMBL10701626 0.74 ACHE (0.62) GPR84DRD2DRD4DRD3PTPN1
SCHEMBL16825972 0.74 LMNA (0.51) HTTMAPTKDM4EGAATSHR
SCHEMBL11887347 0.74 ACHE (0.66) GPR84DRD2DRD4DRD3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106659715-A substituted aminotriazoles and methods of use thereof 药物发现研究所 2017-05-10 — — CN claimed
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
CN-106659715-A substituted aminotriazoles and methods of use thereof 药物发现研究所 2017-05-10 — — CN 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 GPR84 1403/4885DRD2 4668/4885DRD4 4825/4885

“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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