SCHEMBL2391993

SCHEMBL2391993

CC(C)N1C[C@@H]2C[C@H]1CN2c1ccc(N)cn1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.51
CHRNA7 P36544 10/20 0.44
KCNH2 Q12809 10/20 0.44
TLR9 Q9NR96 2/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
HDAC1 Q13547 4/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL2389615 0.81 MAP3K12 (0.51) MAP3K12CHRNA7KCNH2TLR9TLR8
SCHEMBL1896831 0.78 MAP3K12 (0.42) MAP3K12KCNH2TLR9TLR8TLR7
SCHEMBL1892540 0.78 MAP3K12 (0.42) MAP3K12KCNH2TLR9TLR8TLR7
SCHEMBL1898615 0.78 MAP3K12 (0.42) MAP3K12KCNH2TLR9TLR8TLR7
SCHEMBL20009041 0.77 PBRM1 (0.46) MAP3K12CHRNA7KCNH2TLR9TLR8
SCHEMBL20009015 0.77 PBRM1 (0.46) MAP3K12CHRNA7KCNH2TLR9TLR8
SCHEMBL22074808 0.76 MAP3K12 (0.44) MAP3K12CHRNA7KCNH2TLR9TLR8
SCHEMBL25855693 0.71 MAP3K12 (0.50) MAP3K12CHRNA7KCNH2HDAC1
SCHEMBL2386396 0.70 MAP3K12 (0.42) MAP3K12SYK
SCHEMBL25309640 0.70 HDAC1 (0.66) MAP3K12HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
WO-2009135885-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-12 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 (1 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-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL1B, IL1A, PTGER1 MAP3K12 1067/4885CHRNA7 3158/4885KCNH2 1984/4885

“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.