SCHEMBL4078158

SCHEMBL4078158

CSc1ccc(-n2nc(C(C)(C)C)cc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
PTGS1 P23219 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CDK8 P49336 1/20 0.42
LMNA P02545 3/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL13532247 0.84 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL366727 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL3168607 0.82 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL1504021 0.82 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1012343 0.82 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL31265664 0.81 NPC1 (0.45) PTGS2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1283896 0.81 CDK8 (0.47) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL274692 0.81 NPC1 (0.57) PTGS2PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL4056715 0.81 NPC1 (0.45) PTGS2PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL1013888 0.81 PRKCZ (0.53) PTGS2PTGS1NPC1RAB9ASMN1; 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358445-B2 Respiratory formulations and compounds for use therein Respivert, Ltd. (GB) 2019-07-23 US disclosed
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
US-20180201611-A1 Respiratory formulations and compounds for use therein RESPIVERT LTD. (GB) 2018-07-19 US disclosed
US-20180201611-A1 Respiratory formulations and compounds for use therein RESPIVERT LTD. (GB) 2018-07-19 US disclosed
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 US disclosed
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 US disclosed
US-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 US disclosed
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1778686-B9 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2009-07-08 EP disclosed
US-7511057-B2 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. (US) 2009-03-31 US disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 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 (8 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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 PTGS2 302/4885PTGS1 109/4885NPC1 1088/4885
US-20170362208-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R PTGS2 493/4885PTGS1 189/4885NPC1 1221/4885
US-10358445-B2 Respiratory formulations and compounds for use therein TSLP, CCL11, RORB PTGS2 354/4885PTGS1 84/4885NPC1 547/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 PTGS2 720/4885PTGS1 315/4885NPC1 3313/4885
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 PTGS2 636/4885PTGS1 299/4885NPC1 3390/4885
US-20130040962-A1 P38 MAP Kinase Inhibitors MAPK15, MAPK1, MAP3K15 PTGS2 151/4885PTGS1 69/4885NPC1 3262/4885
US-20180201611-A1 Respiratory formulations and compounds for use therein TSLP, CCL11, RORB PTGS2 354/4885PTGS1 84/4885NPC1 547/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 PTGS2 314/4885PTGS1 113/4885NPC1 934/4885

“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.