SCHEMBL2703349

SCHEMBL2703349

CCOC(=O)c1c(CCl)nc(C)c(C#N)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.45
▸ MAPT P10636 7/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ TSHR P16473 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 8/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL4403200 0.86 MAPT (0.49) KDM4EMAPTSMN1; SMN2TSHRPOLB
SCHEMBL295426 0.84 MAPT (0.48) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8268871 0.83 MAPT (0.47) KDM4EMAPTSMN1; SMN2TSHRPOLB
SCHEMBL293902 0.81 GSK3A (0.44) KDM4EMAPTKMT2AMEN1MAPK1
SCHEMBL293409 0.81 GSK3A (0.44) KDM4EMAPTKMT2AMEN1MAPK1
SCHEMBL293972 0.81 GSK3A (0.44) KDM4EMAPTKMT2AMEN1MAPK1
SCHEMBL364227 0.80 KDM4E (0.49) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL293957 0.79 MAPT (0.44) KDM4EMAPTKMT2AMEN1MAPK1
SCHEMBL363607 0.76 ADORA3 (0.43) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7266087 0.74 ACHE (0.48) KDM4EMAPTKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 — — EP disclosed
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 — — EP disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 — — US disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 — — US disclosed
EP-1888589-A2 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS Brystol-Myers Squibb Company (US) 2008-02-20 — — EP disclosed
WO-2006127287-A2 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 — — WO disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 — — US disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 — — 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 (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-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 KDM4E 821/4885MAPT 4195/4885KMT2A 3458/4885

“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.

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