SCHEMBL8738571

SCHEMBL8738571

CCc1ccc2c(c1)C=CCN2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TRPA1 O75762 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
BRD4 O60885 1/20 0.32
KIF11 P52732 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
NISCH Q9Y2I1 2/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL10242603 0.86 TNKS2 (0.41) ALDH1A1KDM4EGAAHPGDTRPA1
SCHEMBL14043146 0.82 TNKS2 (0.34) GAATNKS2CYP2A6
SCHEMBL18885163 0.82 TNKS2 (0.34) TNKS2
SCHEMBL13354838 0.81 LMNA (0.34) TNKS2LMNA
SCHEMBL24021252 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHPGDPARP1
SCHEMBL19139944 0.76 TP53 (0.41) TNKS2
SCHEMBL8469855 0.76 ALDH1A1 (0.34) ALDH1A1KDM4EGAAHPGDPARP1
SCHEMBL9712327 0.72
SCHEMBL1257327 0.72 AHR (0.35) ALDH1A1PARP1
SCHEMBL30695309 0.72 HTR5A (0.33) PARP1CYP1A2MAPT

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-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 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-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 3700/4885KDM4E 1120/4885GAA 1858/4885

“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.