SCHEMBL23937998

SCHEMBL23937998

COc1ccc2c(N)csc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CLK1 P49759 2/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
NNMT P40261 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL11488960 0.76 ALDH1A1 (0.45) KMT2AALDH1A1NPC1RAB9APOLB
SCHEMBL24729647 0.75 NPC1 (0.38) KMT2ACYP1A2CDK5DYRK1ACLK4
SCHEMBL23938108 0.72 ALDH1A1 (0.32) CDK5DYRK1ACLK4DYRK1BALDH1A1
SCHEMBL20731980 0.71 USP28 (0.39) KMT2ACYP1A2ALDH1A1NPC1RAB9A
SCHEMBL25029546 0.70 MTNR1A (0.36) KMT2ACYP1A2CLK1CLK2CLK3
SCHEMBL23937997 0.70 KDM4E (0.41) KMT2ACYP1A2ALDH1A1NPC1RAB9A
SCHEMBL23938087 0.69 MEN1 (0.37) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25029537 0.68 MTNR1A (0.39) CLK1CLK2CLK3CDK5DYRK1A
SCHEMBL21051652 0.67 MAP2K3 (0.45) KMT2ACYP1A2CLK4ALDH1A1NPC1
SCHEMBL126903 0.66 NNMT (0.41) KMT2ACYP1A2CLK1ALDH1A1NPC1

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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US claimed
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 KMT2A 339/4885CYP1A2 2136/4885CLK1 2693/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 KMT2A 339/4885CYP1A2 2136/4885CLK1 2693/4885

“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.