SCHEMBL7039287

SCHEMBL7039287

O=Cc1ccc(-c2cccc3cccnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ MMP2 P08253 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GMNN O75496 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ CCR1 P32246 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MMP13 P45452 1/20 0.48

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
SCHEMBL18753404 0.83 KDM4E (0.48) KDM4EMMP2TSHRLMNASMN1; SMN2
SCHEMBL20931572 0.81 MEN1 (0.48) KDM4EMMP2TSHRLMNASMN1; SMN2
SCHEMBL19767464 0.81 LMNA (0.50) KDM4EMMP2TSHRLMNASMN1; SMN2
SCHEMBL12074320 0.79 MMP2 (0.56) KDM4EMMP2TSHRLMNASMN1; SMN2
SCHEMBL30592746 0.79 MMP2 (0.56) KDM4EMMP2TSHRLMNASMN1; SMN2
SCHEMBL4148271 0.78 MMP2 (0.60) KDM4EMMP2TSHRLMNASMN1; SMN2
SCHEMBL18455545 0.77 CCR1 (0.54) KDM4EMMP2TSHRLMNASMN1; SMN2
SCHEMBL20999916 0.77 KDM4E (0.54) KDM4EMMP2TSHRLMNASMN1; SMN2
SCHEMBL12386952 0.77 LMNA (0.54) KDM4EMMP2TSHRLMNASMN1; SMN2
SCHEMBL12970139 0.77 FABP1 (0.56) KDM4EMMP2TSHRLMNASMN1; SMN2

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-3708169-A1 2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY Agios Pharmaceuticals, Inc. (US) 2020-09-16 — — EP disclosed
US-20030171304-A1 Pyridine-2-yl-aminoalkyl carbonyl glycyl-$g(b)-alanine and derivatives thereof MERCK PATENT GMBH (DE) 2003-09-11 — — US disclosed
CN-1436196-A Pyridin-2-yl-aminoalkylcarbonylglycyl-beta-alanine and derivatives thereof MERCK PATENT GMBH (DE) 2003-08-13 — — CN disclosed
EP-1290010-A1 PYRIDINE-2-YL-AMINOALKYL CARBONYL GLYCYL-$G(B)-ALANINE AND DERIVATIVES THEREOF MERCK PATENT GmbH (DE) 2003-03-12 — — EP disclosed
WO-2001096365-A1 PYRIDINE-2-YL-AMINOALKYL CARBONYL GLYCYL-$G(B)-ALANINE AND DERIVATIVES THEREOF MERCK PATENT GMBH (DE) 2001-12-20 — — WO 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-20030171304-A1 Pyridine-2-yl-aminoalkyl carbonyl glycyl-$g(b)-alanine and derivatives thereof GLRB, GLRA3, HAO2 KDM4E 4682/4885MMP2 3597/4885TSHR 1822/4885

“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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