SCHEMBL1463495

SCHEMBL1463495

N#CCC(=O)Nc1cccc(-c2cnc3ccccc3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 1.00
JAK2 O60674 3/20 1.00
RAB9A P51151 4/20 0.73
NPC1 O15118 3/20 0.73
ALDH1A1 P00352 2/20 0.73
MAPT P10636 2/20 0.73
MITF O75030 1/20 0.73
LMNA P02545 1/20 0.73
HTT P42858 1/20 0.73
TP53 P04637 1/20 0.67
STAT1 P42224 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MAPK1 P28482 1/20 0.58

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
SCHEMBL1463310 0.85 JAK3 (0.80) JAK3JAK2RAB9ANPC1ALDH1A1
SCHEMBL28881689 0.85 JAK3 (0.74) JAK3JAK2RAB9ANPC1ALDH1A1
SCHEMBL1463316 0.84 JAK3 (1.00) JAK3JAK2RAB9ANPC1ALDH1A1
SCHEMBL3711579 0.84 JAK3 (0.78) JAK3JAK2RAB9ANPC1ALDH1A1
SCHEMBL1463421 0.84 JAK3 (1.00) JAK3JAK2RAB9ANPC1ALDH1A1
SCHEMBL1462316 0.84 RAB9A (1.00) JAK3JAK2RAB9ANPC1ALDH1A1
SCHEMBL1463291 0.82 JAK3 (0.82) JAK3JAK2RAB9ANPC1ALDH1A1
SCHEMBL1463296 0.81 RAB9A (0.77) JAK3JAK2RAB9ANPC1ALDH1A1
SCHEMBL1463405 0.81 JAK3 (0.80) JAK3JAK2RAB9ANPC1ALDH1A1
SCHEMBL1462418 0.81 RAB9A (0.77) JAK3JAK2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396004-A1 SELECTIVE KINASE INHIBITORS Reaction Biology Corp. (US) 2011-12-21 EP claimed
US-20110071149-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2011-03-24 US claimed
WO-2010093808-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2010-08-19 WO claimed
US-8592415-B2 Selective kinase inhibitors REACTION BIOLOGY CORP. (US) 2013-11-26 US disclosed
EP-2396004-A1 SELECTIVE KINASE INHIBITORS Reaction Biology Corp. (US) 2011-12-21 EP disclosed
US-20110071149-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2011-03-24 US disclosed
US-20110071149-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2011-03-24 US disclosed
US-20110071149-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2011-03-24 US disclosed
WO-2010093808-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2010-08-19 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-20110071149-A1 SELECTIVE KINASE INHIBITORS JAK3, JAK1, JAK2 JAK3 1/4885JAK2 3/4885RAB9A 1139/4885

“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.