SCHEMBL2556549

SCHEMBL2556549

Cc1ccc(-n2nc(C3CCOCC3)cc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
LMNA P02545 4/20 0.56
TP53 P04637 2/20 0.56
PKM P14618 1/20 0.56
MAPT P10636 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.46
STAT1 P42224 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
KCNJ6 P48051 2/20 0.40
KCNJ3 P48549 2/20 0.40

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
SCHEMBL2557636 0.90 NPC1 (0.63) NPC1RAB9ASMN1; SMN2LMNATP53
Hydrochloric Acid SCHEMBL3168718 0.88 NPC1 (0.61) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL13532140 0.87 NPC1 (0.73) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL13860606 0.86 RAB9A (0.76) NPC1RAB9ASMN1; SMN2LMNATP53
Hydrochloric Acid SCHEMBL3184591 0.86 NPC1 (0.71) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL13532164 0.86 NPC1 (0.71) NPC1RAB9ASMN1; SMN2LMNATP53
Hydrochloric Acid SCHEMBL3174952 0.84 NPC1 (0.69) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL12616231 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL15485354 0.78 LMNA (0.52) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL21847667 0.74 LRRK2 (0.40) NPC1RAB9ASMN1; SMN2LMNATP53

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
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
US-9024041-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-05-05 US disclosed
US-9024041-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-05-05 US disclosed
US-9024041-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-05-05 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-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
EP-2556068-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
WO-2011124930-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-13 WO disclosed
WO-2011124930-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-13 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 (1 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-20130040962-A1 P38 MAP Kinase Inhibitors MAPK15, MAPK1, MAP3K15 NPC1 3262/4885RAB9A 880/4885SMN1; SMN2 4311/4885

“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.