SCHEMBL4417290

SCHEMBL4417290

O=C(O)n1ccc2cncnc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 9/20 0.41
PARP1 P09874 2/20 0.40
MKNK1 Q9BUB5 2/20 0.37
SLC22A12 Q96S37 1/20 0.36
ENPP1 P22413 2/20 0.35
ENPP3 O14638 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 2/20 0.34
TSHR P16473 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
HSD17B10 Q99714 1/20 0.34
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
EGFR P00533 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33

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
SCHEMBL29665757 1.00 MKNK2 (0.41) MKNK2PARP1MKNK1SLC22A12ENPP1
SCHEMBL30319582 0.84 PARP1 (0.58) MKNK2PARP1MKNK1SLC22A12
SCHEMBL30564558 0.84 NOTUM (0.43) MKNK2PARP1MKNK1SLC22A12CYP1A2
Hydrochloric Acid SCHEMBL30319541 0.83 PARP1 (0.57) MKNK2PARP1MKNK1SLC22A12
SCHEMBL30172790 0.80 MKNK2 (0.40) MKNK2PARP1MKNK1SLC22A12CYP3A4
SCHEMBL31365162 0.80 ENPP3 (0.38) MKNK2PARP1MKNK1ENPP1ENPP3
SCHEMBL30358558 0.80 PARP1 (0.40) MKNK2PARP1MKNK1SLC22A12ENPP1
Hydrochloric Acid SCHEMBL30358557 0.79 PARP1 (0.39) MKNK2PARP1MKNK1SLC22A12ENPP1
SCHEMBL27869342 0.77 PIK3CD (0.45) MKNK2PARP1EGFRIRAK4
Hydrochloric Acid SCHEMBL30358580 0.76 MKNK2 (0.39) MKNK2PARP1MKNK1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP claimed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US claimed
JP-2007504159-A 2007-03-01 JP claimed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP claimed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 WO claimed
WO-2023067387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF DERMAL AND OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2023-04-27 WO disclosed
EP-3026052-A9 PREPARATION OF DEUTERATED PIPERIDINE INHIBITORS OF JANUS KINASE 3 Auspex Pharmaceuticals, Inc. (US) 2016-12-07 EP disclosed
EP-3026052-A1 PREPARATION OF DEUTERATED PIPERIDINE INHIBITORS OF JANUS KINASE 3 Auspex Pharmaceuticals, Inc. (US) 2016-06-01 EP disclosed
EP-2421867-B1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS LLC (US) 2015-09-02 EP disclosed
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP disclosed
US-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-08 US disclosed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US disclosed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP disclosed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 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-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS LCK, FYN, BMX MKNK2 82/4885PARP1 4263/4885MKNK1 104/4885

“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.