Sugi Predict

Sugi Predict / Compounds / SCHEMBL8736385

SCHEMBL8736385

SCHEMBL8736385

Cc1ccc(Oc2ccc(N)cn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.69
▸ MEN1 O00255 5/20 0.69
▸ KMT2A Q03164 5/20 0.69
▸ POLB P06746 3/20 0.68
▸ RAB9A P51151 3/20 0.68
▸ TEAD4 Q15561 1/20 0.59
▸ ALDH1A1 P00352 5/20 0.57
▸ BRCA1 P38398 1/20 0.57
▸ HBB P68871 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ MAPT P10636 1/20 0.57
▸ NPC1 O15118 2/20 0.54
▸ KEAP1 Q14145 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAP4K4 O95819 1/20 0.49
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL177984 0.98 KDM4E (0.67) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL20931746 0.88 KDM4E (0.79) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL6306231 0.85 KDM4E (0.71) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL8737052 0.84 KDM4E (0.66) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL12451858 0.82 KDM4E (0.56) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL4228644 0.82 KDM4E (0.60) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL6325952 0.81 KDM4E (0.69) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL2721244 0.81 KDM4E (1.00) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL30466074 0.81 KDM4E (1.00) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL4059342 0.81 KDM4E (0.69) KDM4EMEN1KMT2APOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 — — US disclosed
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 — — US disclosed
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 — — US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 — — US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 — — US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 — — US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 — — US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 — — US disclosed
US-7517880-B2 Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2009-04-14 — — US disclosed
US-20090093526-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHCARE LLC 2009-04-09 — — US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 — — US disclosed
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BAYER HEALTHCARE LLC 2008-08-14 — — US disclosed
US-7371763-B2 Inhibition of raf kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-05-13 — — US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 — — 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 (9 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-20090093526-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 KDM4E 2249/4885MEN1 4566/4885KMT2A 2870/4885
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 KDM4E 2362/4885MEN1 3545/4885KMT2A 2201/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 KDM4E 2362/4885MEN1 3545/4885KMT2A 2201/4885
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BRAF, RAF1, ARAF KDM4E 1392/4885MEN1 2640/4885KMT2A 2204/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF KDM4E 1353/4885MEN1 2248/4885KMT2A 1462/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 KDM4E 2249/4885MEN1 4566/4885KMT2A 2870/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF KDM4E 1353/4885MEN1 2248/4885KMT2A 1462/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 KDM4E 1268/4885MEN1 3509/4885KMT2A 1888/4885
US-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A KDM4E 3958/4885MEN1 808/4885KMT2A 1700/4885

“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.