SCHEMBL16825750

SCHEMBL16825750

CCOc1ccc(CN2CCN(c3nc(N)n[nH]3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ KDM4E B2RXH2 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HTR1A P08908 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PKM P14618 1/20 0.43

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 0.83 ALDH1A1 (0.50) POLBSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL16825972 0.83 LMNA (0.51) KDM4ELMNAKMT2AHPGDALDH1A1
SCHEMBL16825853 0.81 TSHR (0.56) SMN1; SMN2KMT2AMEN1MAPK1HTT
SCHEMBL16825881 0.81 KDM4E (0.52) KDM4EHTR1ADRD2MAPK1L3MBTL1
SCHEMBL16826410 0.80 GAA (0.62) KDM4EHTR1ALMNAKMT2AHPGD
SCHEMBL16825711 0.80 USP2 (0.47) SMN1; SMN2DRD2KMT2AMEN1FAAH
SCHEMBL16825870 0.80 ALDH1A1 (0.51) KDM4ELMNAKMT2AALDH1A1TDP1
SCHEMBL16826083 0.80 HRH4 (0.46) LMNAKMT2AMEN1
SCHEMBL16826336 0.79 TNKS (0.50) POLBKDM4EDRD2KMT2AHPGD
SCHEMBL16826236 0.78 SIGMAR1 (0.54) POLBSMN1; SMN2HTR1ALMNAFAAH

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 11 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-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
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US 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
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 POLB 3344/4885KDM4E 2405/4885SMN1; SMN2 4335/4885

“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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