SCHEMBL18577243

SCHEMBL18577243

Nc1nnc(N2CCC(N3CCNCC3Cc3ccc(Cl)cc3)CC2)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 16/20 0.68
CHIA Q9BZP6 14/20 0.68
KCNH2 Q12809 5/20 0.50
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL18577241 1.00 CHIT1 (0.68) CHIT1CHIAKCNH2SLC6A3
SCHEMBL18609992 0.88 CHIT1 (0.57) CHIT1CHIAKCNH2SLC6A3
SCHEMBL20628957 0.88 CHIT1 (0.57) CHIT1CHIAKCNH2SLC6A3
SCHEMBL18577447 0.86 CHIT1 (0.66) CHIT1CHIAKCNH2SLC6A3
SCHEMBL18577451 0.86 CHIT1 (0.66) CHIT1CHIAKCNH2SLC6A3
SCHEMBL18577082 0.85 CHIT1 (0.67) CHIT1CHIAKCNH2SLC6A3
SCHEMBL18589479 0.85 CHIT1 (0.67) CHIT1CHIAKCNH2SLC6A3
SCHEMBL18577133 0.83 CHIA (0.69) CHIT1CHIAKCNH2SLC6A3
SCHEMBL18577136 0.83 CHIA (0.69) CHIT1CHIAKCNH2SLC6A3
SCHEMBL18609774 0.83 CHIT1 (0.68) CHIT1CHIAKCNH2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2019-11-14 US disclosed
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2019-02-19 US disclosed
EP-3344616-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-01-09 EP disclosed
EP-3344616-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-01-09 EP disclosed
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2018-09-13 US disclosed
EP-3344616-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS S.A. (PL) 2018-07-11 EP disclosed
US-9944624-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2018-04-17 US disclosed
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2017-03-09 US disclosed
WO-2017037670-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2017-03-09 WO disclosed
WO-2017037670-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2017-03-09 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 (4 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-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885KCNH2 3882/4885
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885KCNH2 3882/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885KCNH2 3882/4885
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885KCNH2 3882/4885

“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.