SCHEMBL646986

SCHEMBL646986

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2snnc2C)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 1/20 0.35
BRD4 O60885 7/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
PDE2A O00408 2/20 0.31
PDE10A Q9Y233 2/20 0.31
GFER P55789 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
NR1H3 Q13133 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL646766 0.94 MEN1 (0.33) CACNA1DBRD4ALDH1A1MEN1HPGD
SCHEMBL646901 0.87 KDM4E (0.38) BRD4RXRAPPARGNR1H3KDM4E
SCHEMBL647757 0.85 MAPT (0.43) ALDH1A1SMN1; SMN2KMT2AKDM4ENPC1
SCHEMBL648241 0.83 RAB9A (0.44) ALDH1A1SMN1; SMN2MEN1TSHRHTT
SCHEMBL647018 0.83 IL1B (0.38) MEN1TSHRKMT2APDE10AGFER
SCHEMBL647141 0.82 TSHR (0.38) ALDH1A1MEN1HPGDTSHRHTT
SCHEMBL648068 0.82 MKNK1 (0.38) ALDH1A1SMN1; SMN2KDM4ENPC1TP53
SCHEMBL646800 0.82 MAPT (0.45) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL645597 0.82 MEN1 (0.44) TDP1ALDH1A1SMN1; SMN2MEN1HPGD
SCHEMBL646789 0.82 CRACR2A (0.41) BRD4ALDH1A1ORAI1RXRAKDM4E

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-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US claimed
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-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 CACNA1D 2292/4885BRD4 521/4885TDP1 4113/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 CACNA1D 2292/4885BRD4 521/4885TDP1 4113/4885

“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.