SCHEMBL17119688

SCHEMBL17119688

OCCNc1cc(Cl)ncc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
PDXK O00764 1/20 0.36
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA1 P30542 1/20 0.35
RECQL P46063 2/20 0.34
CDC7 O00311 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
GAA P10253 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL28911433 0.84 FERMT2 (0.45) KMT2ASMN1; SMN2KDM4EPOLBMAPK1
SCHEMBL23884999 0.83 SMN1; SMN2 (0.44) SMN1; SMN2CDC7ROCK2PIM1PRKACA
SCHEMBL29848036 0.83 PDXK (0.36) PDXKSMN1; SMN2RECQLGAAKDM4E
SCHEMBL4281181 0.83 PDXK (0.36) PDXKSMN1; SMN2RECQLGAAKDM4E
SCHEMBL29800958 0.79 PDXK (0.33) PDXKRECQLIRAK4KDM4E
SCHEMBL23141924 0.79 PDXK (0.33) PDXKSMN1; SMN2RECQLGAAKDM4E
SCHEMBL20331004 0.79 PDXK (0.33) PDXKRECQLIRAK4KDM4E
SCHEMBL29765350 0.79 PDXK (0.38) PDXKKMT2ARECQLKDM4EALDH1A1
SCHEMBL1521667 0.79 PDXK (0.38) PDXKKMT2ARECQLKDM4EALDH1A1
SCHEMBL23884980 0.78 PTGER4 (0.39) CYP2C19CYP2D6KMT2ARECQLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714247-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-9714247-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-04-20 US disclosed
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-04-20 US disclosed
US-9493454-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-9493454-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MANNKIND CORPORATION 2015-09-24 US disclosed
US-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MANNKIND CORPORATION 2015-09-24 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 (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-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 CYP2C19 4825/4885CYP2D6 4611/4885PDXK 388/4885
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 CYP2C19 4825/4885CYP2D6 4611/4885PDXK 388/4885

“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.