SCHEMBL25487556

SCHEMBL25487556

COC(=O)c1sc2ccc3nc(C)ccc3c2c1NCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 6/20 0.34
HSD17B10 Q99714 3/20 0.34
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 4/20 0.33
MAPK1 P28482 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 2/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
BACE1 P56817 1/20 0.33
HPGD P15428 3/20 0.33

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
SCHEMBL25487554 0.92 P2RX7 (0.38) P2RX7KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL25487564 0.92 P2RX7 (0.38) P2RX7KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL25487717 0.86 MAPK1 (0.34) P2RX7KMT2AMEN1ALDH1A1KDM4E
SCHEMBL25487906 0.85 LCK (0.35) P2RX7KMT2AMEN1ALDH1A1KDM4E
SCHEMBL25487914 0.85 LCK (0.35) P2RX7KMT2AMEN1ALDH1A1KDM4E
SCHEMBL25490145 0.84 KDM4E (0.37) P2RX7KMT2AMEN1ALDH1A1KDM4E
SCHEMBL17588998 0.83 KDM4E (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL25487994 0.82 P2RX7 (0.35) P2RX7KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL22895320 0.81 KDM4E (0.34) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL22895289 0.81 KDM4E (0.34) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655257-B2 MK2 inhibitors, synthesis thereof, and intermediates thereto CELGENE CAR LLC (BM) 2023-05-23 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-11655257-B2 MK2 inhibitors, synthesis thereof, and intermediates thereto WEE2, WEE1, CDK2 P2RX7 3185/4885KMT2A 168/4885MEN1 1195/4885

“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.