SCHEMBL4668995

SCHEMBL4668995

Cn1c(=O)n(Cc2ccccc2C#N)c(=O)c2c1nc(Br)n2Cc1ccccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.72
TSHR P16473 3/20 0.72
SMN1; SMN2 Q16637 4/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
KMT2A Q03164 3/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 2/20 0.64
TP53 P04637 3/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.51
HTT P42858 1/20 0.51
DPP4 P27487 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL4487837 0.86 KMT2A (0.60) LMNATSHRSMN1; SMN2CYP2C9CYP2C19
SCHEMBL24113581 0.82 LMNA (0.71) LMNATSHRSMN1; SMN2CYP2C9CYP2C19
SCHEMBL24113580 0.82 SMN1; SMN2 (0.92) LMNATSHRSMN1; SMN2CYP2C9CYP2C19
SCHEMBL24113363 0.82 LMNA (0.71) LMNATSHRSMN1; SMN2CYP2C9CYP2C19
SCHEMBL6675241 0.82 LMNA (0.74) LMNATSHRSMN1; SMN2CYP2C9CYP2C19
SCHEMBL28047331 0.79 KMT2A (0.65) KMT2AMEN1ALDH1A1TP53POLB
SCHEMBL28047359 0.79 KMT2A (0.65) SMN1; SMN2KMT2AALDH1A1TP53POLB
SCHEMBL4668947 0.79 DPP4 (0.81) CYP3A4DPP4
SCHEMBL4668943 0.79 DPP4 (0.81) CYP3A4DPP4
SCHEMBL555383 0.79 DPP4 (0.61) LMNATSHRSMN1; SMN2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404675-B1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK AS (DK) 2008-03-12 EP disclosed
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US disclosed
US-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS B (DK) 2005-07-07 US disclosed
US-6869947-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-03-22 US disclosed
EP-1463727-A2 HETEROCYCLIC COMPOUNDS THAT ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
WO-2004033455-A2 HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-04-22 WO disclosed
EP-1404675-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2004-04-07 EP disclosed
US-20030199528-A1 Hetrocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2003-10-23 US disclosed
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2003-06-05 US disclosed
WO-2003024965-A2 HETEROCYCLIC COMPOUNDS THAT ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2003-03-27 WO disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 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 (3 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-20030199528-A1 Hetrocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 LMNA 3568/4885TSHR 4395/4885SMN1; SMN2 4233/4885
US-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 LMNA 4238/4885TSHR 3409/4885SMN1; SMN2 3620/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 LMNA 4341/4885TSHR 3634/4885SMN1; SMN2 3273/4885

“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.