SCHEMBL15445676

SCHEMBL15445676

Cc1nn(C2CCCCO2)c(C)c1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
RET P07949 2/20 0.33
DRD1 P21728 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATR Q13535 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
SCHEMBL13748120 0.83 GAA (0.37) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL14330465 0.81 GAA (0.36) GAACYP4F2CYP4A11RET
SCHEMBL21152701 0.81 GAA (0.51) GAACYP4F2CYP4A11RETDRD1
SCHEMBL21002088 0.78 GAA (0.49) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL17675453 0.78 GAA (0.49) GAACYP4F2CYP4A11RETDRD1
SCHEMBL25389805 0.75 GAA (0.46) GAACYP4F2CYP4A11RETDRD1
SCHEMBL17675672 0.74 GAA (0.45) GAACYP4F2CYP4A11RETDRD1
SCHEMBL15334772 0.72 GAA (0.40) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL29138834 0.71 GAA (0.40) GAACYP4F2CYP4A11DRD1
SCHEMBL1040373 0.71 GAA (0.39) GAACYP4F2CYP4A11RETALDH1A1

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-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 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-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 GAA 3002/4885CYP4F2 4265/4885CYP4A11 3886/4885

“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.