SCHEMBL13404371

SCHEMBL13404371

O=c1[nH]ccnc1NC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
NTSR1 P30989 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ACHE P22303 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GBA1 P04062 1/20 0.46
POLB P06746 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HTR2B P41595 1/20 0.45
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
BACE1 P56817 2/20 0.45
MCHR1 Q99705 2/20 0.44

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
SCHEMBL3138592 0.93 JAK1 (0.56) JAK1LMNAMAPTHTTNTSR1
SCHEMBL13404392 0.87 NPC1 (0.56) JAK1LMNAMAPTHTTKMT2A
SCHEMBL13452931 0.85 MCHR1 (0.55) ACHEMCHR1
SCHEMBL13404378 0.82 SIGMAR1 (0.49) JAK1KMT2AACHEHRH3GAA
SCHEMBL13404416 0.80 DNMT3A (0.50) JAK1HRH3JAK2TYK2JAK3
SCHEMBL13404385 0.80 JAK1 (0.41) JAK1JAK2TYK2JAK3MCHR1
SCHEMBL13633424 0.78 HTR1A (0.52)
SCHEMBL13404436 0.78 MCHR1 (0.47) LMNAMAPTHTTNTSR1KMT2A
SCHEMBL13306944 0.77 MCHR1 (0.51) LMNAHTTSMN1; SMN2GAAMCHR1
SCHEMBL27256629 0.77 HRH3 (0.56) JAK1HTTACHESMN1; SMN2HRH3

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 JAK1 2248/4885LMNA 3585/4885MAPT 272/4885

“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.