SCHEMBL7501911

SCHEMBL7501911

CNC(=S)c1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
FAAH O00519 1/20 0.49
PARP1 P09874 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KCNK3 O14649 1/20 0.46
KCNH2 Q12809 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
ACHE P22303 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CTSL P07711 2/20 0.43
CTSK P43235 1/20 0.43
LMNA P02545 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
SCHEMBL5147645 0.82 PARP1 (0.52) ALDH1A1MAPTHDAC8HDAC6FAAH
SCHEMBL13680640 0.80 HSD17B2 (0.48) ALDH1A1MAPTHDAC8HDAC6SMN1; SMN2
SCHEMBL23198162 0.79 FAAH (0.49) ALDH1A1MAPTHDAC8HDAC6FAAH
SCHEMBL24028372 0.78 F2 (0.47) ALDH1A1MAPTHDAC8HDAC6SMN1; SMN2
SCHEMBL22449760 0.78 NPC1 (0.70) MAPTHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL5448890 0.77 ALDH1A1 (0.36) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1411277 0.76 PARP1 (0.54) ALDH1A1MAPTHDAC8HDAC6FAAH
SCHEMBL9528530 0.76 PARP1 (0.54) ALDH1A1HDAC8HDAC6FAAHPARP1
SCHEMBL8268335 0.75 HDAC8 (0.50) HDAC8HDAC6PARP1SMN1; SMN2KCNK3
SCHEMBL31540297 0.75 HDAC8 (0.71) MAPTHDAC8HDAC6PARP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377444-B2 Pyridopyrimidine compounds acting as mTORC 1/2 dual inhibitors MEDSHINE DISCOVERY INC. (CN) 2022-07-05 US disclosed
US-20200339568-A1 PYRIDOPYRIMIDINE COMPOUNDS ACTING AS MTORC 1/2 DOUBLE-KINASE INHIBITORS MEDSHINE DISCOVERY INC. (CN) 2020-10-29 US disclosed
EP-3712157-A1 PYRIDOPYRIMIDINE COMPOUNDS ACTING AS MTORC 1/2 DOUBLE-KINASE INHIBITORS Medshine Discovery Inc. (CN) 2020-09-23 EP disclosed
EP-0734383-B1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ASTRAZENECA AB (SE) 2002-07-24 EP disclosed
US-5965576-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1999-10-12 US disclosed
US-5705505-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1998-01-06 US disclosed
US-5589489-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1996-12-31 US disclosed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 EP disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 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 (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-11377444-B2 Pyridopyrimidine compounds acting as mTORC 1/2 dual inhibitors MTOR, RICTOR, MAPKAP1 ALDH1A1 3345/4885MAPT 72/4885HDAC8 1524/4885
US-20200339568-A1 PYRIDOPYRIMIDINE COMPOUNDS ACTING AS MTORC 1/2 DOUBLE-KINASE INHIBITORS MTOR, RICTOR, MAPKAP1 ALDH1A1 3836/4885MAPT 225/4885HDAC8 1303/4885

“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.