SCHEMBL2376108

SCHEMBL2376108

CC1CCN(C(=O)OC(C)(C)C)CCC1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.54
▸ RECQL P46063 1/20 0.51
▸ EPHX1 P07099 1/20 0.51
▸ USP2 O75604 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GPR119 Q8TDV5 6/20 0.48
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ PTPN2 P17706 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ PTPN6 P29350 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44

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
SCHEMBL2201330 0.88 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL6224830 0.88 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL6252250 0.88 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL1339443 0.88 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL6253116 0.88 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL6228108 0.88 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL13356476 0.88 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL12280421 0.88 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL1339286 0.88 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL9932964 0.88 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2

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
EP-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 — — EP disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 — — US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 — — WO disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 — — 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-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 HPGD 2212/4885RECQL 1228/4885EPHX1 3678/4885

“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.

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