SCHEMBL3038563

SCHEMBL3038563

O=C(Nc1ccccc1)Nc1ncnc2nc[nH]c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.76
RAB9A P51151 1/20 0.76
BRD4 O60885 6/20 0.69
NT5C2 P49902 2/20 0.63
NT5E P21589 1/20 0.60
CYP3A4 P08684 2/20 0.60
CYP3A5 P20815 1/20 0.60
BRAF P15056 2/20 0.59
TOP2A P11388 2/20 0.58
ADORA3 P0DMS8 1/20 0.55
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
CDK2 P24941 1/20 0.53
MKNK1 Q9BUB5 1/20 0.52
CREBBP Q92793 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL29514799 0.82 BRD4 (1.00) NPC1RAB9ABRD4NT5C2NT5E
SCHEMBL23124 0.82 BRD4 (1.00) NPC1RAB9ABRD4NT5C2NT5E
SCHEMBL3297016 0.82 BRD4 (0.60) NPC1RAB9ABRD4NT5C2NT5E
SCHEMBL8381776 0.81 BRD4 (0.97) NPC1RAB9ABRD4NT5C2NT5E
SCHEMBL22118772 0.81 BRD4 (0.68) NPC1RAB9ABRD4NT5C2NT5E
SCHEMBL28669706 0.80 NPC1 (0.63) NPC1RAB9ABRD4NT5C2NT5E
SCHEMBL1060507 0.79 MKNK1 (0.72) NPC1RAB9ABRAFTOP2ALMNA
SCHEMBL6463477 0.78 BRD4 (0.92) BRD4NT5C2NT5EBRAFTOP2A
SCHEMBL38666421 0.78 BRD4 (0.66) NPC1RAB9ABRD4NT5C2NT5E
SCHEMBL29501954 0.78 LMNA (0.60) NPC1RAB9ABRD4NT5C2NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749980-B2 Non-nucleotide compositions and method for treating pain INSPIRE PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20070123544-A1 Non-nucleotide compositions and method for treating pain INSPIRE PHARMACEUTICALS, INC. 2007-05-31 US disclosed
EP-0540854-B1 Preparation for promoting hair growth SANSHO SEIYAKU KK (JP) 1998-01-21 EP disclosed
US-5656264-A ADMINISTERING TO THE SCALP OF THE MALE A PREPERATION CONSITING OF 6-BENZYLAMINOPURINE SANSYO SEIYAKU CO., LTD. (JP) 1997-08-12 US disclosed
EP-0540854-A2 Preparation for promoting hair growth Sansho Seiyaku Co., Ltd. (JP) 1993-05-12 EP 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-20070123544-A1 Non-nucleotide compositions and method for treating pain P2RX3, P2RX5, P2RX1 NPC1 950/4885RAB9A 3122/4885BRD4 4572/4885

“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.