SCHEMBL13404385

SCHEMBL13404385

O=c1[nH]ccnc1NC1CCN(CC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.41
BRD4 O60885 3/20 0.38
ATAD2 Q6PL18 3/20 0.38
CYP3A4 P08684 2/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
GRIN2B Q13224 2/20 0.38
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
JAK2 O60674 2/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CYP2D6 P10635 1/20 0.36
CNR1 P21554 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
SCHEMBL3138592 0.84 JAK1 (0.56) JAK1MCHR1JAK2TYK2JAK3
SCHEMBL13404378 0.82 SIGMAR1 (0.49) JAK1GRIN2BKCNH2CNR1
SCHEMBL13404371 0.80 JAK1 (0.50) JAK1MCHR1JAK2TYK2JAK3
SCHEMBL13633424 0.80 HTR1A (0.52) BRD4ATAD2KCNH2
SCHEMBL13404416 0.80 DNMT3A (0.50) JAK1BRD4ATAD2GRIN2BKCNH2
SCHEMBL13306944 0.79 MCHR1 (0.51) KCNH2MCHR1
SCHEMBL13404492 0.77 OPRK1 (0.38) BRD4ATAD2CYP3A4MCHR1
SCHEMBL13306850 0.77 KDM4E (0.45) JAK1BRD4ATAD2CYP3A4FGFR1
SCHEMBL13452931 0.76 MCHR1 (0.55) KCNH2MCHR1
SCHEMBL13404392 0.76 NPC1 (0.56) JAK1

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 2248/4885BRD4 3011/4885ATAD2 2264/4885

“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.