SCHEMBL6514566

SCHEMBL6514566

[NH]c1ccc2ncccc2c1.[NH]c1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 3/20 0.49
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 3/20 0.46
TSHR P16473 3/20 0.46
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HSP90AA1 P07900 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ATM Q13315 2/20 0.46
HSP90AB1 P08238 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PSMD14 O00487 2/20 0.44
COPS5 Q92905 1/20 0.44
MMP2 P08253 3/20 0.42
ALOX15 P16050 2/20 0.42

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
SCHEMBL2010960 0.86 NPC1 (0.63) NPC1RAB9APOLBMAPTALDH1A1
SCHEMBL2010246 0.82 KDM4E (0.61) RAB9AMAPTHTTTSHRTP53
SCHEMBL2006865 0.71 ALDH1A1 (0.59) NPC1RAB9APOLBMAPTALDH1A1
SCHEMBL7918759 0.70 POLB (0.67) NPC1RAB9APOLBMAPTALDH1A1
8-Aminoquinoline SCHEMBL6514572 0.68 MAPT (0.74) NPC1RAB9APOLBMAPTALDH1A1
SCHEMBL29448230 0.67 HTT (0.70) NPC1RAB9APOLBMAPTALDH1A1
SCHEMBL358850 0.67 HTT (0.70) NPC1RAB9APOLBMAPTALDH1A1
SCHEMBL359895 0.67 NPC1 (0.63) NPC1RAB9APOLBMAPTALDH1A1
SCHEMBL2011252 0.67 KDM4E (0.54) NPC1RAB9APOLBMAPTALDH1A1
SCHEMBL30743 0.67 NPC1 (1.00) NPC1RAB9APOLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed

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-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 NPC1 4287/4885RAB9A 4693/4885POLB 115/4885

“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.