SCHEMBL689854

SCHEMBL689854

CC(=O)Nc1nc(C#N)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
GRM5 P41594 1/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
GRM1 Q13255 1/20 0.52
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 1/20 0.50
ABL1 P00519 5/20 0.49
NPC1 O15118 2/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
TYR P14679 1/20 0.46
DYRK1A Q13627 1/20 0.44

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
SCHEMBL3904033 0.76 SMN1; SMN2 (0.65) L3MBTL1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL11350463 0.74 L3MBTL1 (0.62) L3MBTL1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL48394 0.74 MAPT (0.66) L3MBTL1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL19994395 0.74 MAPT (0.66) L3MBTL1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL664795 0.73 L3MBTL1 (0.61) L3MBTL1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL1938172 0.73 SMN1; SMN2 (0.62) L3MBTL1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL13211468 0.73 L3MBTL1 (0.61) L3MBTL1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL13681839 0.73 L3MBTL1 (0.61) L3MBTL1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL12743239 0.73 ALDH1A1 (0.38) GRM5SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL11645464 0.72 CYP1A2 (0.44) L3MBTL1GRM5KMT2ASMN1; SMN2CYP1A2

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-8168642-B2 Dihydropyrimidine compounds and their uses in preparation of medicaments for treating and preventing antiviral diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2012-05-01 US disclosed
EP-2039686-B1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USES IN PREPARATION OF MEDICAMENTS FOR TREATING AND PREVENTING ANTIVIRAL DISEASES BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO LTD (CN) 2012-02-29 EP disclosed
US-20100087448-A1 Dihydropyrimidine Compounds and Their Uses in Preparation of Medicaments for Treating and Preventing Antiviral Diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2010-04-08 US disclosed
EP-2039686-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USES IN PREPARATION OF MEDICAMENTS FOR TREATING AND PREVENTING ANTIVIRAL DISEASES Beijing Molecule Science and Technology Co., Ltd. (CN) 2009-03-25 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-20100087448-A1 Dihydropyrimidine Compounds and Their Uses in Preparation of Medicaments for Treating and Preventing Antiviral Diseases DPYD, HPRT1, DHX15 L3MBTL1 3723/4885GRM5 3304/4885KMT2A 3353/4885

“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.