SCHEMBL22897233

SCHEMBL22897233

CCOC(=O)c1cn(CC2CC2)nc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
BTK Q06187 4/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
TEAD2 Q15562 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADORA3 P0DMS8 1/20 0.43
TSHR P16473 1/20 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
SCHEMBL20027638 0.85 MAPK1 (0.60) MAPK1NPSR1CA12CA9NPC1
SCHEMBL20028733 0.83 L3MBTL1 (0.51) NPC1RAB9AKMT2ABTKALDH1A1
SCHEMBL3493198 0.81 KMT2A (0.58) MAPK1NPSR1CA12CA9NPC1
SCHEMBL22897232 0.81 MAPK1 (0.56) MAPK1NPSR1CA12CA9NPC1
SCHEMBL15472756 0.80 BTK (0.58) MAPK1NPSR1MEN1KMT2ABTK
SCHEMBL10988922 0.79 MAPK1 (0.63) MAPK1NPSR1CA12CA9NPC1
SCHEMBL21723872 0.79 LMNA (0.45) MAPK1NPSR1MAPTLMNATSHR
SCHEMBL22897231 0.79 LMNA (0.45) LMNATSHR
SCHEMBL20098543 0.79 LMNA (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5385608 0.79 MAPK1 (0.54) MAPK1NPSR1CA12CA9NPC1

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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 MAPK1 3457/4885NPSR1 3263/4885CA12 3546/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 MAPK1 3624/4885NPSR1 3020/4885CA12 4097/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 MAPK1 3457/4885NPSR1 3263/4885CA12 3546/4885

“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.