SCHEMBL13404378

SCHEMBL13404378

O=c1[nH]ccnc1NC1CCN(CCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
DNMT3A Q9Y6K1 1/20 0.48
CNR1 P21554 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACHE P22303 1/20 0.45
JAK1 P23458 1/20 0.45
SSTR5 P35346 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
SCHEMBL13404416 0.93 DNMT3A (0.50) SIGMAR1DNMT3AJAK1FLT3TYRO3
SCHEMBL3138592 0.88 JAK1 (0.56) SIGMAR1MEN1KMT2AGAAACHE
SCHEMBL13633424 0.84 HTR1A (0.52) SIGMAR1KCNH2
SCHEMBL13404371 0.82 JAK1 (0.50) KMT2AALDH1A1GAAACHEJAK1
SCHEMBL13404385 0.82 JAK1 (0.41) CNR1JAK1KCNH2GRIN2B
SCHEMBL13404392 0.80 NPC1 (0.56) MEN1KMT2AALDH1A1GAAJAK1
SCHEMBL13306944 0.79 MCHR1 (0.51) GAACCR3KCNH2
SCHEMBL13452931 0.78 MCHR1 (0.55) SIGMAR1DNMT3AACHEKCNH2
SCHEMBL13404478 0.77 SIGMAR1 (0.49) SIGMAR1DNMT3ACNR1CA12CA1
SCHEMBL13306850 0.77 KDM4E (0.45) MEN1KMT2AALDH1A1HSD17B10JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 US disclosed
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 US disclosed
EP-2091942-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-02-17 EP disclosed
WO-2008043775-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2008-04-17 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-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 SIGMAR1 62/4885DNMT3A 2346/4885CNR1 200/4885

“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.