SCHEMBL1890695

SCHEMBL1890695

CC(C)N1C[C@H]2C[C@@H]1CN2c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SIRT6 Q8N6T7 2/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.37
ADRB1 P08588 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL1894425 1.00 MEN1 (0.42) MEN1KMT2ASIRT6MAPTPOLB
SCHEMBL2393061 0.84 PIK3CD (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9145647 0.81 SIRT6 (0.46) MEN1KMT2ASIRT6MAPTPOLB
SCHEMBL9145657 0.81 SIRT6 (0.46) MEN1KMT2ASIRT6MAPTPOLB
SCHEMBL2720160 0.81 SIRT6 (0.46) MEN1KMT2ASIRT6MAPTPOLB
SCHEMBL10510829 0.78 POLB (0.47) MEN1KMT2ASIRT6MAPTPOLB
SCHEMBL1892540 0.78 MAP3K12 (0.42) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL1896831 0.78 MAP3K12 (0.42) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL1898615 0.78 MAP3K12 (0.42) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL2392194 0.78 SIRT6 (0.40) MEN1KMT2ASIRT6MAPTPOLB

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 11 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-20110118269-A1 FUSED PYRAZINE COMPOUNDS AS THEIR SALTS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2011-05-19 US disclosed
US-20110118269-A1 FUSED PYRAZINE COMPOUNDS AS THEIR SALTS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2011-05-19 US disclosed
US-20110118269-A1 FUSED PYRAZINE COMPOUNDS AS THEIR SALTS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2011-05-19 US disclosed
WO-2011054922-A1 SALTS OF FUSED PYRAZINE COMPOUNDS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES. GALAPAGOS NV (BE) 2011-05-12 WO 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 (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-20110118269-A1 FUSED PYRAZINE COMPOUNDS AS THEIR SALTS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL1B, IL1A, NLRP3 MEN1 3936/4885KMT2A 4441/4885SIRT6 1245/4885
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL1B, IL1A, PTGER1 MEN1 4306/4885KMT2A 4452/4885SIRT6 1670/4885

“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.