SCHEMBL1781986

SCHEMBL1781986

Cn1nnc(N2CCC(Cl)=C(c3ccc(NC(=O)c4c(F)cccc4Cl)cc3)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.46
RAB9A P51151 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TYK2 P29597 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK7 Q13164 1/20 0.40
NR1I2 O75469 1/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL1782420 0.96 IL2 (0.41) IL2RAB9AGAAMAPTNPSR1
SCHEMBL5019639 0.92 IL2 (0.40) IL2RAB9AGAAMAPTNPSR1
SCHEMBL987243 0.86 IL2 (0.43) IL2RAB9AMAPTTYK2JAK2
SCHEMBL3826864 0.84 IL2 (0.38) IL2RAB9ANPC1SMN1; SMN2MAPK7
SCHEMBL5019619 0.83 TYK2 (0.45) IL2TYK2JAK2JAK1CYP3A4
SCHEMBL5019598 0.83 IL2 (0.40) IL2RAB9ATYK2JAK2JAK1
SCHEMBL1781053 0.83 CRACR2A (0.40) IL2RAB9ATYK2JAK2JAK1
SCHEMBL5019708 0.82 STIM1 (0.41)
SCHEMBL3823063 0.81 L3MBTL1 (0.40) IL2MAPTNPSR1RXFP1MAPK7
SCHEMBL5019637 0.81 KMT2A (0.41) IL2RAB9AMAPTJAK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-11-14 US disclosed
US-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-11-14 US disclosed
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 US disclosed
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
WO-2010039236-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-04-08 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 (4 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-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, CXCL8 IL2 5/4885RAB9A 1786/4885GAA 1267/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885RAB9A 1852/4885GAA 744/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885RAB9A 1852/4885GAA 744/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885RAB9A 1852/4885GAA 744/4885

“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.