SCHEMBL23944980

SCHEMBL23944980

CC(C)(C)c1c2n(c3ccccc13)C[C@H](O)[C@H](O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.41
STAT5A P42229 1/20 0.37
ZAP70 P43403 1/20 0.37
SYK P43405 1/20 0.37
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGDR2 Q9Y5Y4 6/20 0.32
PTGDR Q13258 4/20 0.32
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
CHRM2 P08172 2/20 0.31
CHRNA7 P36544 2/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
TBXA2R P21731 1/20 0.31
MTNR1A P48039 1/20 0.31

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
SCHEMBL18239659 0.80 HTR2A (0.44) JAK3STAT5AZAP70SYKKDM4E
SCHEMBL23944981 0.74 CHRM2 (0.30) CHRM2CHRNA7
SCHEMBL23944977 0.70 PER2 (0.36) KDM4EMAPTPTGDR2PTGDRTBXA2R
SCHEMBL19960987 0.69 HTR2A (0.42) KDM4EMAPTHTR2AHTR2C
SCHEMBL19960980 0.66 HTR2A (0.36) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL18239591 0.65 JAK3 (0.37) JAK3STAT5AZAP70SYKPTGDR2
SCHEMBL9382916 0.65 SIGMAR1 (0.47) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL19960979 0.65 HTR2A (0.38) KDM4EMAPTHTR2AHTR2C
SCHEMBL19960977 0.64 HTR2A (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL19960988 0.63 PER2 (0.40) JAK3KDM4EMEN1ALDH1A1MAPT

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-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 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-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 JAK3 331/4885STAT5A 580/4885ZAP70 544/4885

“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.