SCHEMBL20177018

SCHEMBL20177018

CCOC(=O)c1cc2cnn(Cc3ccc(OC)cc3)c2nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 3/20 0.55
UCHL1 P09936 1/20 0.53
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 2/20 0.47
PDE4B Q07343 1/20 0.46
GAA P10253 3/20 0.46
GLA P06280 2/20 0.45
HTT P42858 1/20 0.45
UBE2N P61088 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL20177016 0.88 NPBWR1 (0.44) UCHL1PDE1APDE1BPDE1C
SCHEMBL14027882 0.83 MAOB (0.58) ALDH1A1KDM4EHPGDUCHL1NPC1
SCHEMBL29600977 0.83 MAOB (0.58) ALDH1A1KDM4EHPGDUCHL1NPC1
SCHEMBL20745892 0.79 NPC1 (0.59) ALDH1A1KDM4EHPGDUCHL1NPC1
SCHEMBL1310965 0.79 PKM (0.51) ALDH1A1KDM4EHPGDUCHL1NPC1
SCHEMBL12604349 0.79 UCHL1 (0.51) ALDH1A1KDM4EHPGDUCHL1LMNA
SCHEMBL12604334 0.79 UCHL1 (0.51) ALDH1A1KDM4EHPGDUCHL1LMNA
SCHEMBL23122494 0.78 NPC1 (0.58) ALDH1A1KDM4EHPGDUCHL1NPC1
SCHEMBL3358788 0.78 NPC1 (0.58) ALDH1A1KDM4EHPGDUCHL1NPC1
SCHEMBL31564734 0.78 NPC1 (0.58) ALDH1A1KDM4EHPGDUCHL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 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 (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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 ALDH1A1 3977/4885KDM4E 2267/4885HPGD 4411/4885

“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.