SCHEMBL2517943

SCHEMBL2517943

NC(=O)c1cc2n(c1)CCNC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ OPRD1 P41143 1/20 0.36
▸ SLC6A4 P31645 1/20 0.33
▸ PNMT P11086 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ PRKD1 Q15139 3/20 0.32
▸ PRKD2 Q9BZL6 3/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ HDAC2 Q92769 3/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ NNMT P40261 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ RPS6KA3 P51812 1/20 0.30
▸ ADRB1 P08588 1/20 0.30

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
SCHEMBL2528702 0.90 CHRNB2 (0.42) CHRNB2CHRNA4OPRD1SLC6A4PNMT
SCHEMBL12283651 0.85 KDM5C (0.36) OPRD1HTR2AHTR2CHDAC2HDAC1
SCHEMBL2519720 0.76 CA12 (0.41) SLC6A4PRKD2PRKD3
SCHEMBL12283351 0.73 HDAC6 (0.47) HDAC2HDAC1HDAC6
SCHEMBL31352213 0.70 KDM4E (0.36) HDAC6
SCHEMBL14249642 0.69 HTR2A (0.36) PNMTHTR2AHTR2C
SCHEMBL20274838 0.69 DRD3 (0.37) HTR2AHTR2CADRB1
SCHEMBL23788420 0.68 HTR2A (0.33) HTR2AHTR2C
SCHEMBL24159307 0.68 HDAC6 (0.45) HDAC2HDAC1HSP90AA1HDAC6
SCHEMBL15933428 0.67 HDAC2 (0.51) HDAC2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1593682-A2 Derivatives of 4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamides, process for their preparation and pharmaceutical compositions thereof LES LABORATOIRES SERVIER (FR) 2005-11-09 — — EP claimed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
EP-1593682-A2 Derivatives of 4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamides, process for their preparation and pharmaceutical compositions thereof LES LABORATOIRES SERVIER (FR) 2005-11-09 — — EP 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-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CHRNB2 1542/4885CHRNA4 1465/4885OPRD1 1575/4885

“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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