SCHEMBL647884

SCHEMBL647884

CCOc1ccccc1C(=O)Nc1cnc(-n2c(C(F)(F)F)nc3cc(OC)ccc32)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 2/20 0.42
CLK1 P49759 1/20 0.42
RXFP1 Q9HBX9 3/20 0.40
RAB9A P51151 4/20 0.40
TP53 P04637 3/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 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
SCHEMBL648285 0.93 KMT2A (0.46) MAPTKDM4ELMNAHPGDTSHR
SCHEMBL10151722 0.89 OPRL1 (0.37) RXFP1RAB9ATP53NPC1MEN1
SCHEMBL646333 0.88 NPC1 (0.46) MAPTKDM4EHSD17B10RXFP1RAB9A
SCHEMBL8237123 0.88 MAPT (0.51) MAPTKDM4ELMNAHPGDTSHR
SCHEMBL645875 0.88 ALDH1A1 (0.42) MAPTKDM4ELMNARXFP1RAB9A
SCHEMBL648291 0.88 PTGES (0.42) KCNK3KCNK9
SCHEMBL649492 0.88 NPC1 (0.51) MAPTKDM4ELMNAHPGDRXFP1
SCHEMBL647662 0.88 RAB9A (0.46) MAPTKDM4ELMNAHPGDTSHR
SCHEMBL11940267 0.88 RAB9A (0.39) MAPTRAB9ATP53NPC1MEN1
SCHEMBL647460 0.88 NPC1 (0.42) MAPTKDM4EHPGDHSD17B10RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614321-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-12-24 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 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 (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-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR5, NLRP3 MAPT 2658/4885KDM4E 900/4885LMNA 2177/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 MAPT 2658/4885KDM4E 900/4885LMNA 2177/4885

“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.