SCHEMBL16825711

SCHEMBL16825711

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.46
▸ KCNH2 Q12809 2/20 0.43
▸ AR P10275 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ KCNJ1 P48048 1/20 0.42
▸ CCR2 P41597 1/20 0.42
▸ FAAH O00519 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ DRD2 P14416 3/20 0.40
▸ DRD4 P21917 3/20 0.40
▸ DRD3 P35462 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP2C9 P11712 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 0.85 LMNA (0.51) USP2GAATSHRMEN1KMT2A
SCHEMBL16825881 0.83 KDM4E (0.52) KCNH2GAADRD2DRD4DRD3
SCHEMBL16826194 0.83 ALDH1A1 (0.50) HRH4GAATSHRSMN1; SMN2MEN1
SCHEMBL16826410 0.82 GAA (0.62) USP2GAATSHRHRH3DRD4
SCHEMBL16826336 0.81 TNKS (0.50) GAACCR2TSHRDRD2MEN1
SCHEMBL16825750 0.80 POLB (0.52) FAAHSMN1; SMN2DRD2MEN1KMT2A
SCHEMBL16826236 0.80 SIGMAR1 (0.54) HRH4GAAFAAHSMN1; SMN2
SCHEMBL16826083 0.80 HRH4 (0.46) HRH4KCNH2GAADRD4MEN1
SCHEMBL16825870 0.80 ALDH1A1 (0.51) HRH4GAATSHRMEN1KMT2A
SCHEMBL11201299 0.80 USP2 (0.50) USP2KCNH2ARGAAATM

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 USP2 3420/4885HRH4 25/4885KCNH2 3532/4885

“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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