SCHEMBL5802822

SCHEMBL5802822

Cc1cc(C)c2c(N)csc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.45
ALDH1A1 P00352 7/20 0.45
HPGD P15428 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
IKBKB O14920 2/20 0.45
CHUK O15111 2/20 0.45
PRKACA P17612 2/20 0.45
LIMK1 P53667 2/20 0.45
HTT P42858 2/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
BTK Q06187 1/20 0.45
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
ROCK2 O75116 1/20 0.44
FYN P06241 1/20 0.44
PIM1 P11309 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL30061268 1.00 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2IKBKB
SCHEMBL23938092 0.78 KDM4E (0.39) KDM4EALDH1A1HPGDSMN1; SMN2IKBKB
SCHEMBL23938077 0.78 HSD17B10 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2LIMK1
SCHEMBL14154131 0.73 IKBKB (0.50) KDM4EALDH1A1HPGDSMN1; SMN2IKBKB
SCHEMBL12960181 0.70 LMNA (0.50) ALDH1A1SMN1; SMN2LIMK1HTTPLK4
SCHEMBL20731027 0.69 KDM4E (0.66) KDM4EALDH1A1HPGDSMN1; SMN2IKBKB
SCHEMBL18537675 0.69 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2IKBKB
SCHEMBL13726113 0.68 KDM4E (0.44) KDM4EALDH1A1HPGDSMN1; SMN2IKBKB
SCHEMBL11488960 0.67 ALDH1A1 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2IKBKB
SCHEMBL20022722 0.67 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2IKBKB

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 4 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 disclosed
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 US disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 KDM4E 403/4885ALDH1A1 2167/4885HPGD 2119/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 KDM4E 403/4885ALDH1A1 2167/4885HPGD 2119/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 KDM4E 2664/4885ALDH1A1 1117/4885HPGD 977/4885

“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.