SCHEMBL6747225

SCHEMBL6747225

CNC(=O)N1c2ccc(N)cc2CC1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 2/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
TP53 P04637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOD1 Q9Y239 1/20 0.40
KMT2A Q03164 1/20 0.40
PKLR P30613 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3035084 0.84 NOTUM (0.46) NOTUMTP53ALDH1A1NPC1RAB9A
SCHEMBL7416927 0.84 NOTUM (0.62) NOTUMRAB9ALMNAMAPTNOD1
SCHEMBL27612384 0.83 LMNA (0.44) NOTUMTSHRTP53ALDH1A1NPC1
SCHEMBL10859231 0.79 NOTUM (0.69) NOTUMPKMTSHRALDH1A1NPC1
SCHEMBL12967741 0.74 NOTUM (0.37) NOTUMTP53ALDH1A1NPC1RAB9A
SCHEMBL21172849 0.72 NOTUM (0.44) NOTUMRAB9ALMNANOD1KMT2A
SCHEMBL5798751 0.72 NOTUM (0.62) NOTUMRAB9ALMNAMAPTNOD1
SCHEMBL27612686 0.71 ALDH1A1 (0.43) NOTUMPKMTSHRALDH1A1LMNA
SCHEMBL583556 0.71 ADRB2 (0.55) NOTUMPKMTP53NPC1RAB9A
SCHEMBL1994565 0.69 NR1H2 (0.39) TP53ALDH1A1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 US disclosed
US-6833456-B2 Heterocyclic sulfides such as 5-(2-(2R-Hydroxymethyl-pyrrolidine-1-carbonyl)-thieno(3,2-b)pyridin-7 -ylamino)-2-methyl-indole-1-carboxylic acid methylamide, used as angiogenesis inhibitors AGOURON PHARMACEUTICALS, INC. 2004-12-21 US disclosed
US-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use ROMINES WILLIAM HENRY (US) 2004-01-29 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 (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-20090069316-A1 NOVEL QUINOLINE DERIVATIVES COQ8B, COQ8A, MCM5 NOTUM 3274/4885PKM 1402/4885TSHR 3704/4885
US-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use CDKN1A, CCNA1, TYMP NOTUM 4495/4885PKM 2534/4885TSHR 1485/4885

“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.