SCHEMBL20002533

SCHEMBL20002533

OC1(c2cc(Cl)cc3[nH]ncc23)CC2(CCCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
SPR P35270 3/20 0.33
CCNE1 P24864 3/20 0.33
CDK2 P24941 3/20 0.33
CDK3 Q00526 3/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
NOS1 P29475 1/20 0.33
DYRK1A Q13627 1/20 0.33
GRK2 P25098 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
SCHEMBL20042288 0.96 METAP2 (0.40) METAP2IDO1TDO2SPRCCNE1
SCHEMBL20002461 0.93 METAP2 (0.41) METAP2IDO1TDO2CCNE1CDK2
SCHEMBL17731744 0.89 METAP2 (0.42) METAP2IDO1TDO2CCNE1CDK2
SCHEMBL17738740 0.88 METAP2 (0.43) METAP2IDO1TDO2NOS1DYRK1A
SCHEMBL20002529 0.87 METAP2 (0.37) METAP2IDO1TDO2CCNE1CDK2
SCHEMBL20938995 0.84 METAP2 (0.45) METAP2IDO1TDO2NOS1DYRK1A
SCHEMBL30602739 0.84 METAP2 (0.45) METAP2IDO1TDO2NOS1DYRK1A
SCHEMBL20002074 0.79 TDO2 (0.38) TDO2NOS1
SCHEMBL17739249 0.78 METAP2 (0.40) METAP2IDO1TDO2CCNE1CDK2
SCHEMBL17738671 0.78 METAP2 (0.40) METAP2IDO1TDO2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 METAP2 786/4885IDO1 1/4885TDO2 2/4885

“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.