SCHEMBL3902191

SCHEMBL3902191

CC(C)(C)Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
PRNP P04156 2/20 0.44
PPARG P37231 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
ALDH1A1 P00352 4/20 0.44
PTGFR P43088 4/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 4/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
APAF1 O14727 1/20 0.37
USP2 O75604 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37

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
SCHEMBL3901308 0.86 DPP4 (0.44) DPP4ALDH1A1ADORA2AADORA1KDM4E
SCHEMBL3896609 0.83 DPP4 (0.48) DPP4ALDH1A1ADORA2AADORA1MAPT
SCHEMBL3896946 0.77 DPP4 (0.73) DPP4ALDH1A1MAPTKDM4EKMT2A
SCHEMBL3897670 0.77 ESRRB (0.41) DPP4ADORA1POLBLMNANCOA1
SCHEMBL3900725 0.74 DPP4 (0.55) DPP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27902065 0.71 RXFP1 (0.60) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL3906128 0.70 DPP4 (0.43) DPP4ADORA2AADORA1KDM4EKMT2A
SCHEMBL3904308 0.70 DPP4 (0.52) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL3895194 0.69 DPP4 (0.51) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL3907064 0.68 PARP1 (0.42) DPP4ADORA2AADORA1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547710-B2 Fused heterocyclic compounds as peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-16 US disclosed
EP-1527049-B1 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP disclosed
US-20060135530-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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 (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-20060135530-A1 Fused heterocyclic compounds NR4A3, DPP3, INSR DPP4 13/4885PRNP 4039/4885PPARG 1742/4885

“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.