SCHEMBL17838868

SCHEMBL17838868

CC(=O)NS(=O)(=O)c1ccc(CN(CCc2ccc(Br)cc2)C2CCN(c3nc(N)n[nH]3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 20/20 0.48
CHIA Q9BZP6 20/20 0.48
KCNH2 Q12809 15/20 0.45

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
SCHEMBL17838884 0.92 CHIT1 (0.47) CHIT1CHIAKCNH2
SCHEMBL17838860 0.92 CHIT1 (0.45) CHIT1CHIAKCNH2
SCHEMBL17838888 0.88 CHIT1 (0.51) CHIT1CHIAKCNH2
SCHEMBL21575086 0.86 CHIT1 (0.47) CHIT1CHIAKCNH2
SCHEMBL17838875 0.85 CHIT1 (0.50) CHIT1CHIAKCNH2
SCHEMBL17838895 0.84 CHIT1 (0.51) CHIT1CHIAKCNH2
SCHEMBL17838869 0.84 CHIT1 (0.51) CHIT1CHIAKCNH2
SCHEMBL17838829 0.83 CHIT1 (0.53) CHIT1CHIAKCNH2
SCHEMBL16826354 0.83 CHIA (0.59) CHIT1CHIAKCNH2
SCHEMBL21574952 0.81 CHIT1 (0.44) CHIT1CHIAKCNH2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428720-B Substituted aminotriazoles as inhibitors of acid mammalian chitinase 昂科艾伦迪治疗法股份公司 2020-06-30 CN disclosed
EP-3233832-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-11-20 EP disclosed
EP-3233832-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-11-20 EP disclosed
EP-3233832-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS S.A. (PL) 2017-10-25 EP disclosed
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-12-22 US disclosed
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-12-22 US disclosed
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-12-22 US disclosed
US-9440953-B2 Substituted amino triazoles useful as acidic mammalian chitinase inhibitors OncoArendi Therapeutics Sp. z o.o. (PL) 2016-09-13 US disclosed
US-9440953-B2 Substituted amino triazoles useful as acidic mammalian chitinase inhibitors OncoArendi Therapeutics Sp. z o.o. (PL) 2016-09-13 US disclosed
US-9440953-B2 Substituted amino triazoles useful as acidic mammalian chitinase inhibitors OncoArendi Therapeutics Sp. z o.o. (PL) 2016-09-13 US disclosed
WO-2016099311-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 WO disclosed
US-20160176843-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 US disclosed
WO-2016099311-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 WO disclosed
US-20160176843-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 US disclosed
US-20160176843-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 US 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 (2 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-20160176843-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS CHIA, CHIT1, CMA1 CHIT1 2/4885CHIA 1/4885KCNH2 4758/4885
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS CHIA, CHIT1, CMA1 CHIT1 2/4885CHIA 1/4885KCNH2 4758/4885

“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.