SCHEMBL2813079

SCHEMBL2813079

Cc1cnccc1C(=O)Nc1ccc(-c2cc(-c3ncco3)ccc2C)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 2/20 0.44
MCL1 Q07820 2/20 0.44
PPARG P37231 1/20 0.40
PTPN1 P18031 1/20 0.40
KIF18A Q8NI77 1/20 0.39
KMT2A Q03164 1/20 0.38
BRAF P15056 3/20 0.38
RAF1 P04049 2/20 0.38
NAMPT P43490 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
DHODH Q02127 2/20 0.38
GSK3B P49841 1/20 0.37
CYP11B2 P19099 1/20 0.37
TYK2 P29597 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ABL1 P00519 1/20 0.36
PDGFRB P09619 1/20 0.36
BCR P11274 1/20 0.36

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
SCHEMBL4724859 0.90 IL2 (0.46) IL2MCL1KIF18ABRAFRAF1
SCHEMBL5554294 0.86 IL2 (0.56) IL2MCL1KIF18AALDH1A1TYK2
SCHEMBL4767861 0.83 JAK2 (0.41) IL2MCL1CYP11B2TYK2NPC1
SCHEMBL2815541 0.83 IL2 (0.46) IL2MCL1KIF18AALDH1A1HTT
SCHEMBL2813970 0.83 CYP11B2 (0.47) IL2KMT2AALDH1A1CYP11B2NPC1
SCHEMBL4764910 0.82 IL2 (0.40) IL2MCL1KIF18ABRAFNAMPT
SCHEMBL2812970 0.82 IL2 (0.66) IL2NPC1RAB9A
SCHEMBL4762606 0.82 STIM1 (0.56) IL2MCL1KMT2AALDH1A1HTT
SCHEMBL4762627 0.82 STIM1 (0.53) IL2MCL1ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL2811428 0.81 IL2 (0.65) IL2NPC1RAB9A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US claimed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US claimed
EP-1984338-B1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-01-16 EP claimed
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-09-30 US claimed
EP-1984338-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US claimed
WO-2007089904-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-09 WO claimed
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US disclosed
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US disclosed
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US disclosed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US disclosed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US disclosed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US disclosed
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-09-30 US disclosed
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-09-30 US disclosed
EP-1984338-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
WO-2007089904-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-09 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-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses CCR1, CXCR3, NLRP1 IL2 77/4885MCL1 3335/4885PPARG 518/4885
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 IL2 77/4885MCL1 3335/4885PPARG 518/4885
US-20100249195-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 IL2 77/4885MCL1 3335/4885PPARG 518/4885

“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.