SCHEMBL7184976

SCHEMBL7184976

N#Cc1ccc([C@@H]2N[C@H](C(=O)N3CC=C[C@H]3C#N)CS2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 1/20 0.38
PAX8 Q06710 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
ALOX15 P16050 2/20 0.35
DPP4 P27487 2/20 0.35
S1PR3 Q99500 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.32

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
SCHEMBL7183390 0.89 ALDH1A1 (0.44) KDM4EMAPTALDH1A1HSD17B10DPP4
Hydrochloric Acid SCHEMBL6182840 0.77 DPP4 (0.57) DPP4
SCHEMBL3825492 0.76 KDM4E (0.67) KDM4EMAPTALDH1A1HSD17B10PAX8
SCHEMBL7190331 0.76 KDM4E (0.67) KDM4EMAPTALDH1A1HSD17B10PAX8
SCHEMBL7190326 0.76 KDM4E (0.67) KDM4EMAPTALDH1A1HSD17B10PAX8
SCHEMBL3825489 0.76 KDM4E (0.67) KDM4EMAPTALDH1A1HSD17B10PAX8
Hydrochloric Acid SCHEMBL6186099 0.67 KDM4E (0.54) KDM4EMAPTALDH1A1HSD17B10HRH3
SCHEMBL6175339 0.67 DPP4 (0.57) DPP4
SCHEMBL6175345 0.67 DPP4 (0.57) DPP4
Hydrochloric Acid SCHEMBL6184127 0.67 ALDH1A1 (0.45) KDM4EMAPTALDH1A1HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645995-B2 Dipeptidyl peptidase-IV (DPP-IV); treating type II diabetes in a human; amino acid amides of 2-cyanopyrrolidine NOVO NORDISK A/S (DK) 2003-11-11 US disclosed
US-20020103384-A1 Therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS (DK) 2002-08-01 US disclosed
US-6380398-B2 COMPOUNDS SUCH AS (S,S)1-(2-AMINO-3,3-DIMETHYL-BUTYRYL)-2,5-DIHYDRO-1H-PYRROLE-2 -CARBONITRILE ADMINISTERED AS ANTIDIABETIC AGENTS; DIPEPTIDYL PEPTIDASE-IV (DPP-IV) NOVO NORDISK A/S (DK) 2002-04-30 US disclosed
US-20010031780-A1 New therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2001-10-18 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-20010031780-A1 New therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP9 KDM4E 1835/4885MAPT 3816/4885ALDH1A1 261/4885
US-20020103384-A1 Therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP9 KDM4E 1582/4885MAPT 3677/4885ALDH1A1 229/4885

“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.