SCHEMBL16675435

SCHEMBL16675435

Cn1c(=O)[nH]c(=O)c2c1ncn2CO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ PMP22 Q01453 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ LMNA P02545 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ POLB P06746 1/20 0.60
▸ PDE4A P27815 4/20 0.55
▸ ADORA2A P29274 4/20 0.55
▸ PDE4B Q07343 4/20 0.55
▸ PDE4C Q08493 4/20 0.55
▸ PDE4D Q08499 4/20 0.55
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ BRD4 O60885 4/20 0.51
▸ BRD2 P25440 2/20 0.51
▸ BRD3 Q15059 2/20 0.51
▸ BRDT Q58F21 2/20 0.51
▸ ADORA2B P29275 1/20 0.47

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
SCHEMBL17682216 0.89 SMN1; SMN2 (0.64) MAPK1CYP3A4PMP22SMN1; SMN2LMNA
SCHEMBL16058831 0.87 MAPK1 (0.67) MAPK1CYP3A4PMP22SMN1; SMN2LMNA
SCHEMBL381684 0.86 PDE4A (0.71) MAPK1CYP3A4PMP22SMN1; SMN2LMNA
SCHEMBL10955005 0.84 MAPK1 (0.64) MAPK1CYP3A4PMP22SMN1; SMN2LMNA
SCHEMBL1495090 0.84 PDE4A (0.76) MAPK1CYP3A4PMP22SMN1; SMN2LMNA
SCHEMBL10856071 0.84 MAPK1 (0.64) MAPK1CYP3A4PMP22SMN1; SMN2LMNA
SCHEMBL10860941 0.84 MAPK1 (0.64) MAPK1CYP3A4PMP22SMN1; SMN2LMNA
SCHEMBL7999341 0.84 MAPK1 (0.59) MAPK1CYP3A4PMP22SMN1; SMN2LMNA
SCHEMBL10112859 0.84 ADORA2B (0.62) MAPK1CYP3A4PMP22SMN1; SMN2LMNA
SCHEMBL10335113 0.83 SMN1; SMN2 (0.64) MAPK1CYP3A4PMP22SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403826-B2 Compositions and methods for the treatment of inflammatory disorders CELLIX BIO PRIVATE LIMITED (IN) 2016-08-02 — — US disclosed
US-9403826-B2 Compositions and methods for the treatment of inflammatory disorders CELLIX BIO PRIVATE LIMITED (IN) 2016-08-02 — — US disclosed
US-20150119409-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-04-30 — — US disclosed
US-20150119409-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-04-30 — — 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-20150119409-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISORDERS BRCA1, PTGER1, EPAS1 MAPK1 1412/4885CYP3A4 592/4885PMP22 478/4885

“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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