SCHEMBL16826422

SCHEMBL16826422

CN(C)c1ccc(CN2CCN(c3nc(N)n[nH]3)CC2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ CHIT1 Q13231 1/20 0.36
▸ CHIA Q9BZP6 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35

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
SCHEMBL16825891 0.87 AURKA (0.39) ALDH1A1AURKAHTT
SCHEMBL16825870 0.83 ALDH1A1 (0.51) ALDH1A1MAPTTDP1KDM4EAURKA
SCHEMBL16826355 0.83 GALR3 (0.50) ALDH1A1MAPTTDP1SMN1; SMN2KDM4E
SCHEMBL28145793 0.80 GALR3 (0.40) ALDH1A1MAPTTDP1KDM4EPLA2G1B
SCHEMBL16826185 0.78 GAA (0.39) ALDH1A1SMN1; SMN2KDM4EPOLBSIGMAR1
SCHEMBL16826236 0.74 SIGMAR1 (0.54) SMN1; SMN2POLBSIGMAR1HTR1AHTR2C
SCHEMBL16825903 0.73 KDM4E (0.54) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL16826206 0.73 TP53 (0.42) ALDH1A1KDM4EPOLBHTT
SCHEMBL16825859 0.72 KMT2A (0.52) ALDH1A1TDP1KDM4ERAB9ATNKS
SCHEMBL16826194 0.72 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBHTT

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 1006/4885MAPT 2060/4885TDP1 1348/4885

“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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