SCHEMBL2422229

SCHEMBL2422229

CSc1ccccc1Nc1cc(Cl)ncc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.50
JAK1 P23458 5/20 0.50
TYK2 P29597 5/20 0.50
PDE4D Q08499 1/20 0.50
MAPT P10636 5/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
JAK3 P52333 3/20 0.42
MAP4K4 O95819 1/20 0.42
GSK3B P49841 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
AKR1C3 P42330 2/20 0.41
LMNA P02545 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL31369031 1.00 JAK2 (0.50) JAK2JAK1TYK2PDE4DMAPT
SCHEMBL2337440 0.88 TYK2 (0.55) JAK2JAK1TYK2PDE4DJAK3
SCHEMBL15713530 0.87 TYK2 (0.65) JAK2JAK1TYK2PDE4DMAPT
SCHEMBL28662530 0.86 JAK2 (0.47) JAK2JAK1TYK2PDE4DMAPT
SCHEMBL24498001 0.84 TYK2 (0.51) JAK2JAK1TYK2PDE4DMAPT
SCHEMBL17688897 0.84 AKR1C3 (0.48) MAPTMEN1KMT2AAKR1C3LMNA
SCHEMBL2345978 0.83 ALDH1A1 (0.53) JAK2JAK1TYK2PDE4DMAPT
SCHEMBL31369054 0.82 JAK2 (0.44) JAK2JAK1TYK2PDE4DMAPT
SCHEMBL28656448 0.82 JAK2 (0.44) JAK2JAK1TYK2PDE4DMAPT
SCHEMBL21600853 0.80 MAPT (0.55) JAK2JAK1TYK2PDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922841-B1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed
WO-2014074660-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFNα RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
WO-2010058846-A1 4,6-DIAMINONICOTINAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-05-27 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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 JAK2 2/4885JAK1 3/4885TYK2 51/4885

“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.