SCHEMBL19902480

SCHEMBL19902480

C=Cn1/c(=N\C)sc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 7/20 0.42
GAA P10253 4/20 0.42
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
TRPM5 Q9NZQ8 1/20 0.41
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
NPSR1 Q6W5P4 5/20 0.40
HIF1A Q16665 1/20 0.40
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
NSD2 O96028 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL19902282 0.81 LMNA (0.41) LMNAMAPTGAAALDH1A1KMT2A
SCHEMBL13790858 0.74 MAPT (0.66) LMNAMAPTGAAALDH1A1KMT2A
SCHEMBL6366188 0.74 L3MBTL1 (0.47) LMNAGAAALDH1A1HTTNPC1
SCHEMBL3882063 0.74 MAPT (0.66) LMNAMAPTGAAALDH1A1KMT2A
SCHEMBL3882060 0.74 MAPT (0.66) LMNAMAPTGAAALDH1A1KMT2A
SCHEMBL9779136 0.73 F12 (0.36) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL14159217 0.70 LMNA (0.60) LMNAMAPTGAAALDH1A1KMT2A
SCHEMBL14572341 0.70 LMNA (0.60) LMNAMAPTGAAALDH1A1KMT2A
SCHEMBL14607771 0.68 MAPT (0.68) LMNAMAPTGAAALDH1A1KMT2A
SCHEMBL1262943 0.68 MAPT (0.68) LMNAMAPTGAAALDH1A1KMT2A

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 LMNA 1620/4885MAPT 171/4885GAA 4260/4885

“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.