SCHEMBL18868083

SCHEMBL18868083

Cc1nc(N)nc(C(C)C)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
ADORA1 P30542 4/20 0.36
ADORA2A P29274 3/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 3/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3CD O00329 3/20 0.33
ADRA2A P08913 1/20 0.33
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 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
SCHEMBL17342570 0.83 ADORA1 (0.35) HTTADORA1ADORA2AALDH1A1KDM4E
SCHEMBL17343117 0.82 KDM4E (0.40) HTTADORA1ADORA2AALDH1A1KDM4E
SCHEMBL9288685 0.81 ALDH1A1 (0.43) HTTADORA1ADORA2AALDH1A1KDM4E
SCHEMBL17343115 0.80 HTT (0.39) HTTALDH1A1KDM4EHPGDGAA
SCHEMBL18874069 0.79 HTT (0.50) HTTADORA1ADORA2AALDH1A1KDM4E
SCHEMBL17342569 0.75 ALDH1A1 (0.48) HTTADORA1ADORA2AALDH1A1KDM4E
SCHEMBL11739193 0.73 ALDH1A1 (0.39) HTTADORA1ADORA2AALDH1A1KDM4E
SCHEMBL11900926 0.72 ALDH1A1 (0.55) HTTADORA1ADORA2AALDH1A1KDM4E
SCHEMBL17401071 0.72 ADORA1 (0.38) HTTADORA1ADORA2AALDH1A1KDM4E
SCHEMBL31575894 0.72 ALDH1A1 (0.55) HTTADORA1ADORA2AALDH1A1KDM4E

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-9944639-B2 Quinolizinone derivatives as PI3K inhibitors LUPIN LIMITED (IN) 2018-04-17 US disclosed
US-9944639-B2 Quinolizinone derivatives as PI3K inhibitors LUPIN LIMITED (IN) 2018-04-17 US disclosed
US-20170137421-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2017-05-18 US disclosed
US-20170137421-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2017-05-18 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-20170137421-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS PIK3R5, PIK3R1, PIK3R4 HTT 1316/4885ADORA1 1794/4885ADORA2A 3136/4885

“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.