SCHEMBL9645083

SCHEMBL9645083

CNc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
ATM Q13315 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
GAA P10253 1/20 0.57
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 2/20 0.54
PBRM1 Q86U86 1/20 0.53
RAB9A P51151 2/20 0.53
BLM P54132 1/20 0.53
MEN1 O00255 1/20 0.51

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
SCHEMBL5151380 0.94 NPSR1 (0.59) L3MBTL1ATMTDP1CA1CA2
SCHEMBL19601226 0.85 NPSR1 (0.51) L3MBTL1ATMTDP1CA1CA2
SCHEMBL29556844 0.84 AKR1C3 (0.56) L3MBTL1CA1CA2ALDH1A1RAB9A
SCHEMBL399246 0.84 AKR1C3 (0.56) L3MBTL1CA1CA2ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL4563542 0.82 AKR1C3 (0.54) L3MBTL1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL14982062 0.82 MAPK13 (0.74) L3MBTL1ATMTDP1CA1CA2
SCHEMBL24166608 0.82 L3MBTL1 (0.65) L3MBTL1ATMTDP1CA1CA2
SCHEMBL8666599 0.82 MAPK13 (0.67) L3MBTL1ATMTDP1PDK1PDK2
SCHEMBL11031257 0.81 ALDH1A1 (0.71) L3MBTL1ATMTDP1CA1CA2
SCHEMBL13001967 0.81 KMT2A (0.67) L3MBTL1RAB9AMEN1KMT2ALMNA

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-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
WO-1992017476-A1 BENZOYLPHENYL PYRIDINYLTHIAZOLIDINE COMPOUNDS AS PLATELET ACTIVATING ANTAGONISTS ABBOTT LABORATORIES (US) 1992-10-15 WO disclosed
US-5120751-A Platelet activating factor antagonist ABBOTT LABORATORIES (US) 1992-06-09 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-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A L3MBTL1 1898/4885ATM 3619/4885TDP1 3174/4885

“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.