SCHEMBL16825883

SCHEMBL16825883

COc1cc(CN2CCN(c3nc(N)n[nH]3)CC2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.51
▸ POLB P06746 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ USP2 O75604 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP2C9 P11712 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 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
SCHEMBL16825764 0.81 KDM4E (0.57) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL11202855 0.81 KDM4E (0.51) KDM4EPOLBTSHRMEN1KMT2A
SCHEMBL28145823 0.78 KDM4E (0.53) KDM4EPOLBTSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL10334149 0.77 KDM4E (0.75) KDM4EPOLBTSHRMEN1KMT2A
SCHEMBL11179651 0.76 USP2 (0.69) KDM4EPOLBTSHRMEN1KMT2A
SCHEMBL16826194 0.76 ALDH1A1 (0.50) POLBTSHRMEN1KMT2AALDH1A1
SCHEMBL16826410 0.75 GAA (0.62) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL16825972 0.75 LMNA (0.51) KDM4ETSHRMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11185330 0.74 USP2 (0.67) KDM4EPOLBTSHRMEN1KMT2A
SCHEMBL8310001 0.74 KDM4E (0.67) KDM4EPOLBTSHRMEN1KMT2A

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 KDM4E 2405/4885POLB 3344/4885TSHR 3816/4885

“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.

Send feedback