SCHEMBL16480100

SCHEMBL16480100

Cc1c(C)n(C)cnc1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
PMP22 Q01453 3/20 0.37
MAPK1 P28482 2/20 0.37
ADORA2A P29274 4/20 0.35
GDA Q9Y2T3 2/20 0.35
ADORA2B P29275 2/20 0.35
PIK3CD O00329 1/20 0.35
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
ADORA1 P30542 1/20 0.35
NTSR1 P30989 1/20 0.35
MC3R P41968 1/20 0.35
NOTUM Q6P988 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
LMNA P02545 3/20 0.35
BCAT2 O15382 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL16480138 0.74 PDE4A (0.39) CYP3A4PMP22ADORA2AADORA2BLMNA
SCHEMBL413457 0.69
SCHEMBL18212638 0.67
SCHEMBL24504446 0.67 ADORA2A (0.36) CYP3A4PMP22MAPK1ADORA2AGDA
SCHEMBL18794726 0.67 LMNA (0.42) CYP3A4PMP22MAPK1ADORA2AGDA
SCHEMBL6071352 0.65
SCHEMBL31685305 0.65 ADORA2A (0.52) CYP3A4PMP22MAPK1ADORA2AGDA
SCHEMBL10964790 0.65
SCHEMBL3033643 0.65
SCHEMBL15548863 0.65

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-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-17 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 (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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 CYP3A4 1460/4885PMP22 3791/4885MAPK1 386/4885
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 CYP3A4 1052/4885PMP22 4402/4885MAPK1 166/4885

“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.