SCHEMBL5019599

SCHEMBL5019599

CC1=C(c2ccc(NC(=O)c3cccc(F)c3C)nc2)CN(c2nnn(C)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.39
DYRK1A Q13627 4/20 0.39
GSK3B P49841 3/20 0.39
WNT1 P04628 2/20 0.39
GRM5 P41594 3/20 0.37
SCN9A Q15858 3/20 0.37
ABL1 P00519 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAP3K5 Q99683 2/20 0.35
HTR1F P30939 1/20 0.35
MAPK10 P53779 1/20 0.33

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
SCHEMBL3823860 0.93 NPC1 (0.48) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5005018 0.91 IL2 (0.41) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5019579 0.89 KMT2A (0.39) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5019609 0.88 AVPR2 (0.42) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL16472095 0.88 IL2 (0.37) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL3823169 0.88 HTR1F (0.44) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL3823063 0.87 L3MBTL1 (0.40) ALDH1A1KMT2AGRM5SCN9ATDP1
SCHEMBL10819914 0.87 NPC1 (0.40) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5019750 0.87 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL5019711 0.86 GRM5 (0.40) DYRK1AGSK3BGRM5ABL1MAPK14

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 10 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
WO-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 WO 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
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 SMN1; SMN2 4839/4885NPC1 661/4885RAB9A 1786/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 SMN1; SMN2 4828/4885NPC1 199/4885RAB9A 1852/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 SMN1; SMN2 4828/4885NPC1 199/4885RAB9A 1852/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 SMN1; SMN2 4828/4885NPC1 199/4885RAB9A 1852/4885

“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.