SCHEMBL5030655

SCHEMBL5030655

Cc1cnncc1NC(=O)Nc1ccc(-c2cc(-c3cnco3)ccc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 9/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
JAK3 P52333 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
PTK2 Q05397 1/20 0.46
IMPDH1 P20839 3/20 0.45
AAK1 Q2M2I8 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 3/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
P2RY1 P47900 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5029487 0.88 IMPDH2 (0.54) IMPDH2MEN1KMT2AJAK3NPC1
SCHEMBL5033768 0.88 IMPDH2 (0.54) IMPDH2MEN1KMT2AJAK3NPC1
SCHEMBL5032059 0.87 IMPDH2 (0.66) IMPDH2MEN1KMT2AJAK3NPC1
SCHEMBL5027352 0.85 IMPDH2 (0.55) IMPDH2MEN1KMT2AJAK3NPC1
SCHEMBL5032038 0.85 IMPDH2 (0.55) IMPDH2MEN1KMT2AJAK3NPC1
SCHEMBL5029410 0.81 IMPDH2 (0.53) IMPDH2MEN1KMT2AJAK3NPC1
SCHEMBL5029427 0.81 IMPDH2 (0.59) IMPDH2MEN1KMT2AJAK3NPC1
SCHEMBL5030804 0.81 IMPDH2 (0.55) IMPDH2MEN1KMT2AJAK3NPC1
SCHEMBL5027354 0.80 IMPDH2 (0.52) IMPDH2MEN1KMT2AJAK3NPC1
SCHEMBL4769462 0.78 IL2 (0.61) IMPDH2NPC1RAB9AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US claimed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US claimed
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
EP-1983971-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
WO-2007087441-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed
WO-2007087441-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (2 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-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses CCR1, NLRP1, NLRP3 IMPDH2 3907/4885MEN1 4217/4885KMT2A 2335/4885
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, NLRP1, NLRP3 IMPDH2 3907/4885MEN1 4217/4885KMT2A 2335/4885

“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.