SCHEMBL2704020

SCHEMBL2704020

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CNR1 P21554 4/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ NR3C1 P04150 2/20 0.38
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ MDM2 Q00987 1/20 0.36
▸ STS P08842 3/20 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
SCHEMBL2705021 0.96 DPP4 (0.41) DPP4TP53MEN1KMT2ANPSR1
SCHEMBL2705023 0.96 DPP4 (0.41) DPP4TP53MEN1KMT2ANPSR1
SCHEMBL2706200 0.88 TP53 (0.40) DPP4TP53MEN1KMT2ADPP8
SCHEMBL8444738 0.88 DPP4 (0.37) DPP4CNR1CNR2DPP8DPP9
SCHEMBL2703968 0.88 DPP4 (0.46) DPP4TP53CNR1CNR2DPP8
SCHEMBL2701634 0.85 GPR119 (0.39) DPP4TP53DPP8DPP9MDM2
SCHEMBL2701632 0.85 GPR119 (0.39) DPP4TP53DPP8DPP9MDM2
SCHEMBL4404834 0.84 DPP4 (0.44) DPP4TP53CNR1DPP8DPP9
SCHEMBL2705103 0.81 ALDH1A1 (0.41) DPP4MEN1KMT2ANPSR1DPP8
SCHEMBL2705099 0.81 ALDH1A1 (0.41) DPP4MEN1KMT2ANPSR1DPP8

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 6 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-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 DPP4 1/4885TP53 3350/4885MEN1 4674/4885

“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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