SCHEMBL3199860

SCHEMBL3199860

CSCCNC(=O)c1c[c]ccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
NPC1 O15118 6/20 0.54
HPGD P15428 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.45
ALDH1A1 P00352 7/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 4/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.41
NAAA Q02083 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
SCHEMBL1490709 0.83 L3MBTL1 (0.55) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL3198950 0.81 NPC1 (0.64) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL1415854 0.81 POLB (0.46) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL4347123 0.80 RAB9A (0.68) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL1416098 0.80 HPGD (0.59) RAB9ASMN1; SMN2NPC1HPGDTP53
SCHEMBL4318844 0.80 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL3316339 0.80 MAOB (0.51) RAB9ASMN1; SMN2NPC1NFKB1RECQL
SCHEMBL12574371 0.79 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL158021 0.79 GAA (0.41) SMN1; SMN2HPGDL3MBTL1ALDH1A1CYP1A2
SCHEMBL1455901 0.79 ALDH1A1 (0.50) SMN1; SMN2HPGDMAPK1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
EP-1780212-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE Teijin Pharma Limited (JP) 2007-05-02 EP disclosed
US-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives TEIJIN PHARMA LIMITED 2006-06-22 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-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives MAPKAPK2, MAPKAPK5, MAP4K2 RAB9A 1304/4885SMN1; SMN2 3512/4885NPC1 4173/4885

“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.