SCHEMBL5458625

SCHEMBL5458625

O=C(Nc1ccncc1)c1ccccc1C(=O)C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.60
TYK2 P29597 4/20 0.60
HTT P42858 3/20 0.56
ALDH1A1 P00352 1/20 0.54
EPHX1 P07099 1/20 0.51
GAA P10253 1/20 0.51
NCOA1 Q15788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
POLB P06746 1/20 0.51
PRKCI P41743 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 1/20 0.47
JAK1 P23458 1/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F2R P25116 1/20 0.46

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
SCHEMBL5473991 0.99 TYK2 (0.58) JAK2TYK2HTTALDH1A1EPHX1
SCHEMBL27946675 0.83 JAK2 (0.77) JAK2TYK2HTTALDH1A1GAA
SCHEMBL5458619 0.79 KDM4E (0.67) JAK2TYK2HTTALDH1A1EPHX1
SCHEMBL5473986 0.78 KDM4E (0.65) JAK2TYK2HTTALDH1A1EPHX1
SCHEMBL12700205 0.77 ALDH1A1 (0.76) JAK2TYK2HTTALDH1A1GAA
SCHEMBL15271178 0.75 JAK2 (1.00) JAK2TYK2HTTALDH1A1SMN1; SMN2
SCHEMBL5578926 0.73 PTPN1 (0.69) HTTEPHX1SMN1; SMN2CYP3A4KDM4E
SCHEMBL8390742 0.73 PRKCI (0.56) JAK2TYK2HTTALDH1A1POLB
SCHEMBL1499570 0.72 NPC1 (0.70) JAK2TYK2HTTALDH1A1GAA
SCHEMBL3972817 0.72 TYK2 (1.00) JAK2TYK2HTTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 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-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 JAK2 181/4885TYK2 284/4885HTT 2935/4885

“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.