SCHEMBL19901467

SCHEMBL19901467

CC(C)C1=NCC(=O)c2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
PTPN13 Q12923 1/20 0.43
TDP2 O95551 3/20 0.43
NSD2 O96028 3/20 0.43
PAX8 Q06710 2/20 0.43
ABL1 P00519 1/20 0.43
PLCG1 P19174 1/20 0.43
CES1 P23141 1/20 0.43
RIN1 Q13671 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
CDC25B P30305 4/20 0.40
S100A4 P26447 4/20 0.40
PDK2 Q15119 1/20 0.39

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
SCHEMBL19901476 0.87 PTPRC (0.43) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL19901472 0.78 PTPN1 (0.36) PTPRCTDP2PLCG1CES1MEN1
SCHEMBL802342 0.76 PDK2 (0.36) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL19901466 0.69 MAOA (0.42) BLMCDC25BALDH1A1
SCHEMBL19901471 0.69 MAOA (0.42) BLMCDC25BALDH1A1
SCHEMBL2604368 0.67 TDP2 (0.56) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL30665385 0.67 TDP2 (0.56) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL12902152 0.66 TSHR (0.48) CES1
SCHEMBL829095 0.65 TDP2 (0.52) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL8801062 0.65 GABRA1 (0.56) MEN1KMT2A

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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 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 (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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 PTPRC 466/4885CTSL 4371/4885CTSS 3463/4885

“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.