SCHEMBL12841024

SCHEMBL12841024

CN1Cc2cnc(C#N)nc2C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.33
CTSK P43235 4/20 0.33
CTSL P07711 2/20 0.33
NSD2 O96028 1/20 0.31
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL12706721 0.87 KDM4E (0.42) CTSSCTSKCTSLKDM4EUSP2
SCHEMBL12769078 0.80 NSD2 (0.32) CTSSCTSKNSD2
SCHEMBL1503881 0.76 HSP90AA1 (0.36) MAPT
SCHEMBL740206 0.72 DDB1 (0.53) NSD2MAPT
SCHEMBL14629338 0.70 SMN1; SMN2 (0.46) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL5443622 0.70 KDM4E (0.42) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL5436263 0.69 RIPK1 (0.33)
SCHEMBL17624119 0.69 HSP90AA1 (0.40) KDM4EUSP2ALDH1A1ALOX15TSHR
SCHEMBL12840038 0.69 HSP90AA1 (0.40) USP2ALDH1A1TSHRHSD17B10
SCHEMBL1528705 0.69 HTR2C (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910596-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20100234403-A1 Aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. 2010-09-16 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 (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-20100234403-A1 Aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 CTSS 929/4885CTSK 1129/4885CTSL 493/4885

“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.