SCHEMBL10022348

SCHEMBL10022348

CC(=O)Nc1nc2ccc(C(C)C)cc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.72
RAB9A P51151 4/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
DYRK1A Q13627 12/20 0.68
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2C19 P33261 2/20 0.66
CYP2C9 P11712 1/20 0.66
FSCN1 Q16658 1/20 0.66
PDPK1 O15530 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.63
HTT P42858 1/20 0.63
PIK3CG P48736 2/20 0.61
PIK3CA P42336 2/20 0.61
PIK3CB P42338 1/20 0.61
PI4KB Q9UBF8 1/20 0.61
ADORA1 P30542 1/20 0.60
LRRK2 Q5S007 1/20 0.57
LDHA P00338 1/20 0.57

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
SCHEMBL15887355 0.89 DYRK1A (0.64) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL12512734 0.89 DYRK1A (0.68) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL4132162 0.88 DYRK1A (0.63) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL20049820 0.86 RAB9A (0.69) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL24133141 0.85 RAB9A (0.67) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL4294190 0.82 RAB9A (0.66) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL13766450 0.82 DYRK1A (0.70) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL10170616 0.81 DYRK1A (1.00) NPC1RAB9ADYRK1ACYP1A2CYP3A4
SCHEMBL2175580 0.81 DYRK1A (1.00) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL13201319 0.80 NPC1 (0.61) NPC1RAB9AMEN1KMT2ADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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 (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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA NPC1 600/4885RAB9A 100/4885MEN1 1338/4885

“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.