SCHEMBL4091561

SCHEMBL4091561

O=c1cc(-c2sc(N3CCC(O)CC3)nc2-c2ccncc2)cc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
GRIA1 P42261 1/20 0.38
PRKCZ Q05513 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
APOBEC3G Q9HC16 1/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
PIM1 P11309 1/20 0.33
PIN1 Q13526 1/20 0.33
ATIC P31939 1/20 0.33
PRKD1 Q15139 1/20 0.32

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
SCHEMBL4096817 0.81 KCNH2 (0.46) GRIA1PRKCZKMT2AMAPK14PRKD1
SCHEMBL4103177 0.77 KCNH2 (0.44) KMT2AALOX5ALDH1A1HTTSMN1; SMN2
SCHEMBL4105910 0.75 KCNH2 (0.49) MAPK1KMT2AALOX5ALDH1A1MAPK13
SCHEMBL6528770 0.73 KCNH2 (0.40) GRIA1PRKCZKMT2ACYP46A1MAPK14
SCHEMBL4099330 0.68 KMT2A (0.38) KMT2AALOX5ALDH1A1HTTSMN1; SMN2
SCHEMBL13741720 0.66 CDC7 (0.44) MAPK14PIM1MAPT
SCHEMBL6042144 0.66 NOTUM (0.64) KMT2AAPOBEC3GALDH1A1HTTSMN1; SMN2
SCHEMBL19264139 0.65 HRH3 (0.53) MAPK1HTT
SCHEMBL13740515 0.64 NOTUM (0.54) MAPK1KMT2AALOX5ALDH1A1MAPK14
SCHEMBL12491446 0.64 AR (0.50) KMT2AALOX5ALDH1A1HTTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 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 (2 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 MAPK1 90/4885GRIA1 894/4885PRKCZ 372/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 MAPK1 90/4885GRIA1 894/4885PRKCZ 372/4885

“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.