SCHEMBL20334657

SCHEMBL20334657

CC(C)(C)n1cc(-c2ccc(OP)cc2)c(C#N)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.35
KDR P35968 6/20 0.35
TEK Q02763 6/20 0.35
SRC P12931 3/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PIM1 P11309 2/20 0.30
SQOR Q9Y6N5 2/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL8508548 0.69 LCK (0.53) LCKKDRTEKSRCKDM4E
SCHEMBL6862112 0.69 LCK (0.53) LCKKDRTEKSRCKDM4E
SCHEMBL6250271 0.67 SRC (0.47) KDRSRCKDM4EALDH1A1MAPT
SCHEMBL7005305 0.66 ALDH1A1 (0.44) LCKKDRTEKSRCKDM4E
SCHEMBL3715556 0.66 CA12 (0.50) LCKKDRTEKSRCKDM4E
SCHEMBL7009014 0.66 CA12 (0.36) LCKKDRTEKSRCKDM4E
SCHEMBL20334658 0.63 ALDH1A1 (0.32) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL18269174 0.62 ADORA1 (0.35) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL7574828 0.58 KMT2A (0.55) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL26509801 0.57 CA2 (0.48) KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179210-A1 Inhibitors of the TEC Kinase Enzyme Family PHARMASCIENCE INC. (CA) 2018-06-28 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-20180179210-A1 Inhibitors of the TEC Kinase Enzyme Family TEC, BTK, LCK LCK 3/4885KDR 775/4885TEK 851/4885

“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.