SCHEMBL12424520

SCHEMBL12424520

O=C(c1cccnc1)N1CCC(n2cnc3cnc4c(c32)CCN4)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.52
GAA P10253 1/20 0.45
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
HPGDS O60760 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
RIPK1 Q13546 1/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL2293133 0.79 JAK1 (0.82) JAK1
SCHEMBL12424363 0.77 JAK1 (0.62) JAK1
SCHEMBL12424377 0.77 JAK1 (0.45) JAK1
SCHEMBL12425816 0.76 JAK1 (0.62) JAK1
SCHEMBL12424561 0.73 JAK1 (0.47) JAK1POLBPKM
SCHEMBL12424369 0.73 JAK1 (0.53) JAK1
SCHEMBL12424336 0.73 JAK1 (0.53) JAK1
SCHEMBL12424357 0.71 JAK1 (0.40) JAK1
SCHEMBL12425915 0.70 JAK1 (0.47) JAK1ALDH1A1KMT2A
SCHEMBL12425820 0.69 JAK1 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 JAK1 434/4885GAA 2545/4885POLB 660/4885

“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.