SCHEMBL6100883

SCHEMBL6100883

Cc1nc(NC2CCCc3ccccc32)c(C)nc1Br

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
GLP1R P43220 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KCNN3 Q9UGI6 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
PFKFB3 Q16875 5/20 0.47
RECQL P46063 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
IGF1R P08069 1/20 0.45
GBA1 P04062 1/20 0.45

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
SCHEMBL3842306 0.92 PDPK1 (0.49) LMNAGLP1RADRA2BADRA2CADRA1A
SCHEMBL6100530 0.81 LMNA (0.51) LMNAGLP1RHDAC6KCNN3ADRA2A
SCHEMBL6100784 0.77 MEN1 (0.48) LMNAGLP1RHDAC6KCNN3ADRA2A
SCHEMBL6101973 0.76 GLP1R (0.50) LMNAGLP1RPFKFB3CNR1
SCHEMBL1976205 0.74 PFKFB3 (0.57) LMNAHDAC6KCNN3ADRA2AADRA2B
SCHEMBL6102962 0.74 KMT2A (0.47) LMNAGLP1RPFKFB3MEN1KMT2A
SCHEMBL30267946 0.73 PFKFB3 (0.58) LMNAPFKFB3
SCHEMBL30268481 0.73 PFKFB3 (0.58) LMNAPFKFB3
SCHEMBL30267939 0.73 PFKFB3 (0.58) LMNAPFKFB3
SCHEMBL3842498 0.73 AURKA (0.44) CNR1CNR2MEN1KMT2A

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 LMNA 4726/4885GLP1R 736/4885HDAC6 522/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A LMNA 4726/4885GLP1R 736/4885HDAC6 522/4885

“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.