SCHEMBL16826091

SCHEMBL16826091

Nc1n[nH]c(N2CCN(Cc3ccccc3F)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ KMT2A Q03164 5/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ TNKS O95271 1/20 0.49
▸ PARP1 P09874 1/20 0.49
▸ TNKS2 Q9H2K2 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.48
▸ CYP2A13 Q16696 1/20 0.48
▸ OPRK1 P41145 1/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ DCPS Q96C86 1/20 0.41

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
SCHEMBL16825859 0.84 KMT2A (0.52) KMT2AALDH1A1TNKSPARP1TNKS2
SCHEMBL16826046 0.83 GPR84 (0.54) KDM4EOPRK1HTTATMHTR6
SCHEMBL16826410 0.81 GAA (0.62) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL16825748 0.79 MEN1 (0.60) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL11202780 0.79 POLB (0.56) POLBKMT2AALDH1A1TNKSPARP1
SCHEMBL16825881 0.78 KDM4E (0.52) KDM4EHTR1AMAPK1GAAMAPT
SCHEMBL16826355 0.78 GALR3 (0.50) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL16825779 0.77 KDM4E (0.47) KMT2AALDH1A1KDM4EMEN1HTR1A
SCHEMBL16825684 0.77 KDM4E (0.61) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL16226380 0.76 ALDH1A1 (0.81) POLBKMT2AALDH1A1KDM4ECYP2A13

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 POLB 3344/4885KMT2A 1919/4885ALDH1A1 1006/4885

“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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