SCHEMBL2706200

SCHEMBL2706200

Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1C(=O)OCc1ccccc1)C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ DPP4 P27487 3/20 0.39
▸ TRPC3 Q13507 1/20 0.39
▸ TRPC7 Q9HCX4 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ YAP1 P46937 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPBAR1 Q8TDU6 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
SCHEMBL2701634 0.97 GPR119 (0.39) TP53GPR119DPP4TRPC3TRPC7
SCHEMBL2701632 0.97 GPR119 (0.39) TP53GPR119DPP4TRPC3TRPC7
SCHEMBL8446881 0.90 TRPC3 (0.38) DPP4TRPC3TRPC7POLBSMN1; SMN2
SCHEMBL2704020 0.88 DPP4 (0.43) TP53DPP4DPP8DPP9MEN1
SCHEMBL2705049 0.86 DPP4 (0.39) DPP4POLBSMN1; SMN2CYP3A4CYP2C19
SCHEMBL2702835 0.86 DPP4 (0.39) DPP4POLBSMN1; SMN2CYP3A4CYP2C19
SCHEMBL2703644 0.86 DPP4 (0.39) DPP4POLBSMN1; SMN2CYP3A4CYP2C19
SCHEMBL2705023 0.85 DPP4 (0.41) TP53DPP4DPP8DPP9MEN1
SCHEMBL2705021 0.85 DPP4 (0.41) TP53DPP4DPP8DPP9MEN1
SCHEMBL4408122 0.84 SMN1; SMN2 (0.38) TRPC3TRPC7POLBSMN1; SMN2MEN1

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 5 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
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

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 TP53 3350/4885GPR119 123/4885DPP4 1/4885

“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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