SCHEMBL50335

SCHEMBL50335

CCN(CCC#N)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.47
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASP1 P29466 1/20 0.39
DPP4 P27487 1/20 0.38
TSHR P16473 2/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 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
SCHEMBL1344184 0.89 ALDH1A1 (0.44) MLYCDALDH1A1NPC1L3MBTL1CASP1
SCHEMBL5933411 0.83 MLYCD (0.47) MLYCDALDH1A1NPC1L3MBTL1CASP1
SCHEMBL5933404 0.83 MLYCD (0.47) MLYCDALDH1A1NPC1L3MBTL1CASP1
SCHEMBL5933277 0.81 MLYCD (0.46) MLYCDALDH1A1NPC1L3MBTL1CASP1
SCHEMBL5933272 0.81 MLYCD (0.46) MLYCDALDH1A1NPC1L3MBTL1CASP1
SCHEMBL23169301 0.81 MLYCD (0.46) MLYCDALDH1A1NPC1L3MBTL1CASP1
SCHEMBL2813504 0.80 MLYCD (0.43) MLYCDALDH1A1NPC1L3MBTL1CASP1
SCHEMBL10340277 0.79 ALDH1A1 (0.42) MLYCDALDH1A1NPC1L3MBTL1CASP1
SCHEMBL50785 0.78 KDM4E (0.38) MLYCDALDH1A1TSHRHPGDLMNA
SCHEMBL16255362 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114746414-B Aza-quinoline compounds and uses thereof 诺华公司 2024-10-18 CN claimed
EP-4034535-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2022-08-03 EP claimed
CN-114746414-A Aza-quinoline compounds and uses thereof 诺华公司 2022-07-12 CN claimed
CN-114746414-B Aza-quinoline compounds and uses thereof 诺华公司 2024-10-18 CN disclosed
EP-4034535-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2022-08-03 EP disclosed
CN-114746414-A Aza-quinoline compounds and uses thereof 诺华公司 2022-07-12 CN disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2311818-A1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug Novartis AG (CH) 2011-04-20 EP disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
EP-0127827-B1 PROCESS FOR PREPARING CHLOROPYRIMIDINES BAYER AG (DE) 1990-01-24 EP disclosed
EP-0127827-A2 Process for preparing chloropyrimidines BAYER AG (DE) 1984-12-12 EP 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B MLYCD 3900/4885ALDH1A1 3271/4885NPC1 2181/4885

“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.