SCHEMBL10254237

SCHEMBL10254237

COc1cc(C(C)(C)C)ccc1OCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.59
▸ MAPK14 Q16539 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ SYK P43405 1/20 0.55
▸ FGFR2 P21802 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ RECQL P46063 1/20 0.50
▸ HTR2C P28335 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ TSHR P16473 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ADORA2A P29274 1/20 0.48

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
SCHEMBL12781675 0.94 CYP2D6 (0.57) KDM4EMAPK14L3MBTL1SYKFGFR2
SCHEMBL12781688 0.93 KDM4E (0.60) KDM4EMAPK14L3MBTL1FGFR2ALDH1A1
SCHEMBL270862 0.88 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2RECQLPOLB
SCHEMBL10223621 0.87 KDM4E (0.78) KDM4EMAPK14L3MBTL1SYKALDH1A1
SCHEMBL14200226 0.86 KDM4E (0.60) KDM4EMAPK14L3MBTL1SYKFGFR2
SCHEMBL14200213 0.86 KDM4E (0.56) KDM4EMAPK14L3MBTL1SYKFGFR2
SCHEMBL20347952 0.85 KDM4E (0.55) KDM4EMAPK14ALDH1A1SMN1; SMN2RECQL
SCHEMBL13963827 0.83 SYK (0.71) KDM4EL3MBTL1SYKALDH1A1SMN1; SMN2
SCHEMBL4573246 0.82 HTT (0.61) SYKALDH1A1SMN1; SMN2HTR2CHTR2B
SCHEMBL14230629 0.82 SYK (0.58) KDM4ESYKHTR2CHTR2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 — — US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 — — US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 — — US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 — — US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 — — US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 — — US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 — — US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 — — 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 (5 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 KDM4E 4094/4885MAPK14 953/4885L3MBTL1 4202/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 KDM4E 1531/4885MAPK14 225/4885L3MBTL1 3992/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 KDM4E 4094/4885MAPK14 953/4885L3MBTL1 4202/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 KDM4E 4091/4885MAPK14 882/4885L3MBTL1 4200/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 KDM4E 840/4885MAPK14 209/4885L3MBTL1 1652/4885

“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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