SCHEMBL6101683

SCHEMBL6101683

CC1CCc2occc2C1N

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.37
CYP19A1 P11511 1/20 0.32
TBXAS1 P24557 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6101737 0.77 GID4 (0.34) GID4CYP19A1TBXAS1
SCHEMBL6101731 0.77 GID4 (0.34) GID4CYP19A1TBXAS1
SCHEMBL8262015 0.70 GID4 (0.37) GID4CYP19A1TBXAS1KDM4EPOLB
SCHEMBL13117920 0.70 GID4 (0.37) GID4CYP19A1TBXAS1KDM4EPOLB
SCHEMBL1265184 0.69 CYP19A1 (0.42) GID4CYP19A1TBXAS1POLBHSD17B10
SCHEMBL13845052 0.69 CYP19A1 (0.42) GID4CYP19A1TBXAS1
SCHEMBL14578643 0.69 CYP19A1 (0.42) GID4CYP19A1TBXAS1POLBHSD17B10
SCHEMBL30368195 0.65 IDO1 (0.48)
SCHEMBL6101909 0.64 KEAP1 (0.39) GID4
Hydrochloric Acid SCHEMBL8541821 0.64 IDO1 (0.50)

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 GID4 356/4885CYP19A1 1319/4885TBXAS1 1048/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A GID4 356/4885CYP19A1 1319/4885TBXAS1 1048/4885

“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.