SCHEMBL6906460

SCHEMBL6906460

Cc1ccc2c(c1)CNC(=S)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.44
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
EPHX2 P34913 1/20 0.35
CHRM1 P11229 1/20 0.34
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
GAA P10253 2/20 0.33
ADRA2A P08913 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2C9 P11712 1/20 0.33
RAB9A P51151 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL19257866 0.80
SCHEMBL14294948 0.80 HTR5A (0.43) HTR5APDE3BPDE3APARP10PARP11
SCHEMBL16089354 0.78 HTR5A (0.44) HTR5APDE3BPDE3APARP10PARP11
SCHEMBL30528610 0.78 BRD4 (0.44) PDE3BPDE3APARP10PARP11CHRM1
SCHEMBL6907761 0.78 PDE3B (0.63) HTR5APDE3BPDE3APARP10PARP11
SCHEMBL25367020 0.78 BRD4 (0.44) PDE3BPDE3APARP10PARP11CHRM1
SCHEMBL25366509 0.78 HTR5A (0.45) HTR5APDE3BPDE3APARP10CDK5
SCHEMBL25368102 0.78 AHR (0.49) HTR5APDE3BPDE3ACHRM1ALDH1A1
SCHEMBL30528636 0.78 HTR5A (0.45) HTR5APDE3BPDE3APARP10CDK5
SCHEMBL30528604 0.78 AHR (0.49) HTR5APDE3BPDE3ACHRM1ALDH1A1

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
EP-3749355-B1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIV MIAMI (US) 2024-07-03 EP disclosed
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 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-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 HTR5A 687/4885PDE3B 239/4885PDE3A 355/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 HTR5A 2033/4885PDE3B 335/4885PDE3A 424/4885

“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.