SCHEMBL2701680

SCHEMBL2701680

Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1C#N)C(=O)N(C1CCOCC1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ DPP4 P27487 12/20 0.39
▸ DPP8 Q6V1X1 9/20 0.39
▸ DPP9 Q86TI2 9/20 0.39
▸ CYP3A4 P08684 5/20 0.39
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ CRHR1 P34998 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALOX12 P18054 1/20 0.36

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
SCHEMBL2702832 0.83 DPP4 (0.44) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL4404836 0.83 DPP4 (0.54) DPP4DPP8DPP9CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL2702812 0.83 DPP4 (0.53) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL8269278 0.77 DPP4 (0.42) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2702835 0.76 DPP4 (0.39) MEN1LMNAGAAKMT2ADPP4
SCHEMBL293901 0.74 MEN1 (0.45) HPGDMEN1LMNAGAAKMT2A
SCHEMBL295794 0.72 HPGD (0.45) HPGDMEN1LMNAGAAKMT2A
SCHEMBL2704486 0.72 DPP4 (0.54) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL294339 0.72 DPP4 (0.49) HPGDMEN1LMNAGAAKMT2A
SCHEMBL4404901 0.72 DPP4 (0.43) DPP4DPP8DPP9CYP3A4CYP2C19

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
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 — — US 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
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 HPGD 1250/4885MEN1 4674/4885LMNA 2551/4885

“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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