SCHEMBL4601388

SCHEMBL4601388

OCCOc1nc(-c2ccc(F)cc2)c(-c2ccncn2)n1C1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.45
MAPK11 Q15759 4/20 0.45
MAPK13 O15264 3/20 0.45
MAPK12 P53778 3/20 0.45
MAPK9 P45984 3/20 0.45
CYP1A2 P05177 2/20 0.45
MAP4K4 O95819 2/20 0.45
EGFR P00533 2/20 0.45
FRK P42685 2/20 0.45
CSNK1A1 P48729 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PRKD3 O94806 1/20 0.45
RAF1 P04049 1/20 0.45
LCK P06239 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PRKCA P17252 1/20 0.45
CYP2C19 P33261 1/20 0.45
CSNK1D P48730 1/20 0.45
MINK1 Q8N4C8 1/20 0.45

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
SCHEMBL4601390 0.83 MAPK14 (0.43) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL8418263 0.71 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL1639908 0.71 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL8477798 0.71 MAPK14 (0.78) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL1640808 0.69 CSNK1D (0.45) MAPK14MAPK9MAP4K4EGFRFRK
SCHEMBL1640801 0.67 GPR119 (0.49) MAPK14CSNK1D
SCHEMBL8420006 0.67 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK12EGFR
SCHEMBL1639208 0.65 CSNK1D (0.57) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL1640317 0.65 MAPK14 (0.75) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL12221555 0.65 MAPK14 (0.74) MAPK14MAPK11MAPK13MAPK12MAPK9

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539121-A4 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2008-08-13 EP disclosed
EP-1545535-A4 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC (US) 2008-06-04 EP disclosed
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS PROTTER ANDREW A 2008-05-08 US disclosed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase PROTTER ANDREW A 2008-02-14 US disclosed
US-7268139-B2 Methods of promoting osteogenesis SCIOS, INC. (US) 2007-09-11 US disclosed
US-7244441-B2 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. (US) 2007-07-17 US disclosed
EP-1676574-A2 Methods for promoting survival of transplanted tissues and cells Johnson & Johnson Vision Care, Inc. (US) 2006-07-05 EP disclosed
US-20060019971-A1 Treatment of cardiovascular disease with inhibitors of p38 kinase SCIOS INC. 2006-01-26 US disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
WO-2005032551-A1 TREATMENT OF CARDIOVASCULAR DISEASE WITH INHIBITORS OF p38 KINASE SCIOS INC. (US) 2005-04-14 WO disclosed
WO-2005030091-A2 STENTS AND INTRA-LUMINAL PROSTHESES CONTAINING MAP KINASE INHIBITORS SCIOS INC. (US) 2005-04-07 WO disclosed
US-20040171659-A1 Methods for treating diabetes SCIOS, INC. 2004-09-02 US disclosed
US-20040162289-A1 Methods of promoting osteogenesis UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2004-08-19 US disclosed
WO-2004019873-A9 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2004-06-24 WO disclosed
US-20040122008-A1 Treatment of pain by inhibition of p38 MAP kinase SCIOS, INC. 2004-06-24 US disclosed
WO-2004053107-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2004-06-24 WO disclosed
WO-2004024083-A2 METHODS OF BONE HEALING UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2004-03-25 WO disclosed
WO-2004021988-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2004-03-18 WO disclosed
WO-2004019873-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2004-03-11 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 (6 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-20060019971-A1 Treatment of cardiovascular disease with inhibitors of p38 kinase MAPKAPK5, MAPK1, MAPKAPK2 MAPK14 36/4885MAPK11 39/4885MAPK13 34/4885
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS MAPK1, BMP2, MAPK3 MAPK14 23/4885MAPK11 37/4885MAPK13 15/4885
US-20040162289-A1 Methods of promoting osteogenesis MAPK1, BMP2, MAPK3 MAPK14 23/4885MAPK11 37/4885MAPK13 15/4885
US-20040122008-A1 Treatment of pain by inhibition of p38 MAP kinase OPRK1, OPRL1, MAPK3 MAPK14 36/4885MAPK11 50/4885MAPK13 39/4885
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase OPRK1, OPRL1, MAPK3 MAPK14 36/4885MAPK11 50/4885MAPK13 39/4885
US-20040171659-A1 Methods for treating diabetes SLC5A2, MAPK4, MAPK3 MAPK14 53/4885MAPK11 45/4885MAPK13 46/4885

“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.