SCHEMBL4251041

SCHEMBL4251041

O=C(O)c1cc(-c2ccccc2)nc2ccncc12

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.69
▸ LMNA P02545 2/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ PDE10A Q9Y233 1/20 0.69
▸ DHODH Q02127 9/20 0.69
▸ HSD17B10 Q99714 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ POLB P06746 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ AKR1C3 P42330 1/20 0.56
▸ AKR1C2 P52895 1/20 0.56
▸ AKR1C1 Q04828 1/20 0.56
▸ HTT P42858 1/20 0.54

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
SCHEMBL4248547 0.90 KDM4E (0.72) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL15905102 0.87 EPRS1 (0.64) DHODHALDH1A1GAA
SCHEMBL4247643 0.87 ALDH1A1 (0.66) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL4248489 0.87 DHODH (0.64) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL4252230 0.87 ALDH1A1 (0.69) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL4248571 0.86 KDM4E (0.60) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL4248498 0.86 ALDH1A1 (0.54) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL4254130 0.86 ALDH1A1 (0.61) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL4245149 0.85 KDM4E (0.64) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL4255361 0.84 DHODH (0.61) KDM4ELMNASMN1; SMN2PDE10ADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 — — US disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 — — US disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 — — US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
EP-1709045-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2006-10-11 — — EP disclosed
US-20060142324-A1 Aryl fused 2,4-disubstituted pyridines: NK3 receptor ligands NEUROGEN CORPORATION 2006-06-29 — — US disclosed
US-7037922-B1 Aryl fused 2,4-disubstituted pyridines: NK3 receptor ligands NEUROGEN CORPORATION (US) 2006-05-02 — — US disclosed
US-20050171141-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2005-08-04 — — US disclosed
WO-2005056552-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 — — WO disclosed
WO-2005056552-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 — — WO disclosed
EP-1165555-B1 ARYL FUSED 2,4-DISUBSTITUTED PYRIDINES: NK3 RECEPTOR LIGANDS NEUROGEN CORP (US) 2003-07-16 — — EP disclosed
EP-1165555-A2 ARYL FUSED 2,4-DISUBSTITUTED PYRIDINES: NK3 RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-02 — — EP disclosed
WO-2000058307-A2 ARYL FUSED 2,4-DISUBSTITUTED PYRIDINES: NK3 RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-10-05 — — 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 (3 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-20060142324-A1 Aryl fused 2,4-disubstituted pyridines: NK3 receptor ligands ACKR3, BDKRB1, GPR3 KDM4E 1423/4885LMNA 3130/4885SMN1; SMN2 2509/4885
US-20050171141-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 KDM4E 4060/4885LMNA 4203/4885SMN1; SMN2 2267/4885
US-20090042928-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 KDM4E 4060/4885LMNA 4203/4885SMN1; SMN2 2267/4885

“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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