SCHEMBL3977843

SCHEMBL3977843

COC(=O)c1sc2ncnc(On3nnc4ccccc43)c2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
MKNK2 Q9HBH9 9/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43

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
SCHEMBL3977837 0.87 MKNK2 (0.52) HSD17B10MKNK2HPGDATM
SCHEMBL3980765 0.76 MRGPRX1 (0.64) HSD17B10MKNK2HPGDSMN1; SMN2ATM
SCHEMBL4364470 0.69 RAB9A (0.60) HPGDKDM4EALDH1A1KMT2ANPC1
SCHEMBL2368112 0.69 HPGD (0.57) HSD17B10MKNK2HPGDKDM4EALDH1A1
SCHEMBL13844360 0.68 HSD17B10 (0.47) HSD17B10MKNK2HPGDKDM4EALDH1A1
SCHEMBL4365183 0.67 MRGPRX1 (0.51) HSD17B10MKNK2HPGDSMN1; SMN2ATM
SCHEMBL3978075 0.67 TSHR (0.45) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL1497505 0.66 NPC1 (0.39) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL4369869 0.66 HSD17B10 (0.52) HSD17B10MKNK2HPGDKDM4EALDH1A1
SCHEMBL3979886 0.66 MRGPRX1 (0.49) HSD17B10MKNK2HPGDALDH1A1KMT2A

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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 HSD17B10 1698/4885MKNK2 1790/4885HPGD 1495/4885

“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.