SCHEMBL18776103

SCHEMBL18776103

CC(C)(C)Sc1nc2ncnc(N)c2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.71
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.56
ERBB2 P04626 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
ALDH1A1 P00352 2/20 0.52
APEX1 P27695 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 3/20 0.49
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
PI4KA P42356 2/20 0.47
PI4K2B Q8TCG2 2/20 0.47
PI4K2A Q9BTU6 2/20 0.47
PI4KB Q9UBF8 2/20 0.47

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
SCHEMBL17060218 0.83 NUDT1 (1.00) NUDT1LMNATSHRERBB2HSP90AA1
SCHEMBL18758098 0.75 PKM (0.42) NUDT1LMNATSHRERBB2HSP90AA1
SCHEMBL1059581 0.74 NUDT1 (0.68) NUDT1LMNATSHRERBB2HSP90AA1
SCHEMBL5132693 0.74 LMNA (0.74) NUDT1LMNATSHRERBB2HSP90AA1
SCHEMBL1859610 0.74 ALDH1A1 (0.64) NUDT1LMNATSHRADORA2AADORA1
SCHEMBL42314 0.72 ADORA2A (0.66) NUDT1LMNATSHRERBB2HSP90AA1
SCHEMBL17574490 0.72 LMNA (0.59) NUDT1LMNATSHRERBB2HSP90AA1
SCHEMBL887194 0.70 ADORA2A (0.58) NUDT1LMNATSHRERBB2HSP90AA1
SCHEMBL16487462 0.70 HSP90AA1 (0.60) NUDT1LMNATSHRERBB2HSP90AA1
SCHEMBL18776105 0.70 METAP2 (0.41) NUDT1ALDH1A1HTTHPGD

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-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 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 (2 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-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY NUDT1 2606/4885LMNA 4877/4885TSHR 1291/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY NUDT1 2606/4885LMNA 4877/4885TSHR 1291/4885

“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.