SCHEMBL6161532

SCHEMBL6161532

c1ccc2cc(-c3c[nH]nn3)ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 1/20 0.45
BTK Q06187 1/20 0.45
MIF P14174 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CYP2A6 P11509 1/20 0.41
PDPK1 O15530 1/20 0.41
NPY5R Q15761 1/20 0.38
HTR3A P46098 1/20 0.36
GRM4 Q14833 2/20 0.35
TACR3 P29371 1/20 0.35
PLAU P00749 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL5470573 0.80 NPC1 (0.63) NPC1RAB9ACYP1A2KDM4EBTK
SCHEMBL29699371 0.80 L3MBTL1 (0.51) NPC1RAB9ACYP1A2TDP1CYP2A6
SCHEMBL29699410 0.80 CASP3 (0.51) NPC1RAB9ACYP1A2TDP1CYP2A6
SCHEMBL23457511 0.78 GRM4 (0.40) NPC1RAB9ACYP1A2GRM4CASP3
SCHEMBL29699517 0.78 GRM4 (0.40) NPC1RAB9ACYP1A2GRM4CASP3
SCHEMBL29699451 0.77 METAP2 (0.39) NPC1RAB9ACYP1A2GRM4L3MBTL1
SCHEMBL23457557 0.77 METAP2 (0.39) NPC1RAB9ACYP1A2GRM4L3MBTL1
SCHEMBL23457476 0.76 NPC1 (0.39) NPC1RAB9ACYP1A2GRM4CASP3
SCHEMBL6161279 0.73 CYP1A2 (0.50) NPC1RAB9ACYP1A2KDM4E
SCHEMBL7480827 0.71 ADORA3 (0.47) NPC1RAB9ACYP1A2KDM4EL3MBTL1

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-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US claimed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US disclosed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP disclosed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 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 (2 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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP NPC1 3027/4885RAB9A 906/4885CYP1A2 1882/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP NPC1 3179/4885RAB9A 939/4885CYP1A2 1632/4885

“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.