SCHEMBL6100784

SCHEMBL6100784

CCc1nc(NC2CCCc3ccccc32)c(CC)nc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
ADRA1A P35348 2/20 0.47
LMNA P02545 2/20 0.47
GLP1R P43220 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KCNN3 Q9UGI6 1/20 0.46
CACNA2D1 P54289 1/20 0.45
GBA1 P04062 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PFKFB3 Q16875 3/20 0.42
POLB P06746 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42

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
SCHEMBL6099328 0.82 KDM1A (0.44) KMT2AADRA2AADRA2B
SCHEMBL6100426 0.82 TAS1R3 (0.43) MEN1KMT2ACACNA2D1PFKFB3TAS1R3
SCHEMBL6100610 0.81 NPC1 (0.44) MEN1KMT2APOLB
SCHEMBL6100501 0.80 C5AR1 (0.40) KDM4EPFKFB3TAS1R3TAS1R1
SCHEMBL6099392 0.80 CA1 (0.48) TAS1R3TAS1R1TAS1R2
SCHEMBL6102294 0.80 MEN1 (0.48) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6100773 0.80 LMNA (0.39) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6100939 0.79 CRHR1 (0.41)
SCHEMBL6100947 0.79 CRHR1 (0.41)
SCHEMBL6100943 0.79 CRHR1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US disclosed
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 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 (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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A MEN1 4846/4885KMT2A 1010/4885ADRA2A 88/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A MEN1 4846/4885KMT2A 1010/4885ADRA2A 88/4885

“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.