SCHEMBL3917850

SCHEMBL3917850

N#Cc1nc(N)c(N)c(NC2CCCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.60
CTSL P07711 5/20 0.47
CTSB P07858 4/20 0.47
CTSS P25774 3/20 0.47
NSD2 O96028 1/20 0.47
CHUK O15111 1/20 0.43
CTSV O60911 1/20 0.41
PLAT P00750 1/20 0.41
CTSH P09668 1/20 0.41
CASP14 P31944 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
CASP6 P55212 1/20 0.41
CTSZ Q9UBR2 1/20 0.41

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
SCHEMBL3925553 0.79 KMT2A (0.62) CTSKCTSLCTSBCTSSNSD2
SCHEMBL9520355 0.73 CHUK (0.45) CTSKCTSLCTSBCTSSNSD2
SCHEMBL6241632 0.70 CTSS (0.68) CTSKCTSLCTSBCTSSCTSV
SCHEMBL3915825 0.70 CTSK (0.43) CTSKCTSLCTSBCTSSNSD2
SCHEMBL24081823 0.70 PDE4D (0.41) CTSKCHUK
SCHEMBL3450564 0.69 CTSK (0.51) CTSKCTSLCTSBCTSSNSD2
SCHEMBL28257145 0.68 CTSK (0.47) CTSKCTSLCTSBCTSSNSD2
SCHEMBL22411357 0.68 CTSK (0.42) CTSKCTSLCTSBCTSSNSD2
SCHEMBL3453193 0.68 CTSK (0.54) CTSKCTSLCTSBCTSSNSD2
SCHEMBL3925590 0.68 CTSK (0.66) CTSKCTSLCTSBCTSS

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-20090227579-A1 Pteridine Derivatives and their Use as Cathespin Inhibitors ASTRAZENECA AB (SE) 2009-09-10 US disclosed
EP-2035422-A1 PTERIDINE DERIVATIVES AND THEIR USE AS CATHESPIN INHIBITORS AstraZeneca AB (SE) 2009-03-18 EP disclosed
WO-2007148064-A1 PTERIDINE DERIVATIVES AND THEIR USE AS CATHESPIN INHIBITORS ASTRAZENECA AB (SE) 2007-12-27 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 (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-20090227579-A1 Pteridine Derivatives and their Use as Cathespin Inhibitors CTSB, CTSF, CTSS CTSK 5/4885CTSL 7/4885CTSB 1/4885

“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.