SCHEMBL4537019

SCHEMBL4537019

O=C(Nc1ccc(-c2ccncc2)cc1)Nc1nc2ccccc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.73
RAB9A P51151 7/20 0.73
MAPT P10636 6/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
GAA P10253 2/20 0.73
NFKB1 P19838 1/20 0.73
NFKB2 Q00653 1/20 0.73
RELA Q04206 1/20 0.73
WNT3A P56704 1/20 0.67
NAMPT P43490 2/20 0.61
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 1/20 0.57
SCD O00767 1/20 0.57
KDR P35968 2/20 0.57
ROCK1 Q13464 1/20 0.56
ABL1 P00519 1/20 0.56

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
SCHEMBL1143751 0.85 NPC1 (1.00) NPC1RAB9AMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL28640786 0.84 NPC1 (0.97) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL32674581 0.83 NPC1 (0.84) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL27634788 0.83 NPC1 (0.84) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4922739 0.83 NPC1 (0.79) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2245925 0.83 NPC1 (0.79) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL540965 0.83 MAPT (0.79) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL5342270 0.81 CDK5 (0.65) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL11993580 0.81 NPC1 (0.75) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1725083 0.80 WNT3A (1.00) NPC1RAB9AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA NPC1 1693/4885RAB9A 174/4885MAPT 236/4885

“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.