SCHEMBL2386396

SCHEMBL2386396

CC(C)N1C[C@@H]2C[C@H]1CN2c1cccc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.42
ADRA2C P18825 1/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
SYK P43405 1/20 0.34
PIK3CD O00329 7/20 0.33
GRM2 Q14416 1/20 0.33
PIK3R1 P27986 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL1898615 0.82 MAP3K12 (0.42) MAP3K12ADRA2CMAPTKDM4EMEN1
SCHEMBL1896831 0.82 MAP3K12 (0.42) MAP3K12ADRA2CMAPTKDM4EMEN1
SCHEMBL1892540 0.82 MAP3K12 (0.42) MAP3K12ADRA2CMAPTKDM4EMEN1
SCHEMBL19368143 0.82 MAP3K12 (0.39) MAP3K12SYK
SCHEMBL2393061 0.78 PIK3CD (0.50) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL25900772 0.74 MAP3K12 (0.38) MAP3K12MAPTALDH1A1SYK
SCHEMBL24625784 0.73 MAP3K12 (0.37) MAP3K12SYK
SCHEMBL2389615 0.71 MAP3K12 (0.51) MAP3K12SYK
SCHEMBL2391993 0.70 MAP3K12 (0.51) MAP3K12SYK
SCHEMBL2391996 0.70 MAP3K12 (0.33) MAP3K12ADRA2CMAPTKDM4EMEN1

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 1067/4885ADRA2C 1516/4885MAPT 855/4885

“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.