SCHEMBL646343

SCHEMBL646343

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 4/20 0.42
HSPD1 P10809 1/20 0.40
HSPE1 P61604 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 2/20 0.39
POLB P06746 2/20 0.37
PKM P14618 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.35
PLK4 O00444 1/20 0.35
DYRK3 O43781 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL8234476 0.91 HPGD (0.41) RAB9AALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL648069 0.90 KMT2A (0.43) RAB9AALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL649504 0.89 ALDH1A1 (0.41) RAB9AALDH1A1KMT2AMEN1GAA
SCHEMBL645875 0.89 ALDH1A1 (0.42) RAB9AALDH1A1LMNAKMT2AMAPT
SCHEMBL646293 0.87 KMT2A (0.45) RAB9AALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL10151707 0.87 RAB9A (0.38) RAB9AALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL647067 0.85 IRAK4 (0.49) RAB9AALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL646757 0.84 STING1 (0.39) RAB9AALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL646333 0.84 NPC1 (0.46) RAB9AALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL648291 0.84 PTGES (0.42) PLK4DYRK3MAP4K4CDK1RET

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-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
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 RAB9A 3009/4885ALDH1A1 3637/4885SMN1; SMN2 4792/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 RAB9A 3009/4885ALDH1A1 3637/4885SMN1; SMN2 4792/4885

“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.