SCHEMBL2586397

SCHEMBL2586397

CCOCn1ccc2c(C(=O)O)cccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.41
BAD Q92934 1/20 0.41
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NR4A2 P43354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.39
HRH2 P25021 2/20 0.39
PLK1 P53350 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.39
CNR2 P34972 1/20 0.39
FABP4 P15090 2/20 0.38
BCL2 P10415 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL2593643 0.86 NR4A2 (0.53) POLBL3MBTL1NR4A2LMNAMAPT
SCHEMBL5761906 0.83 CYP19A1 (0.51) MCL1BADL3MBTL1NR4A2KDM4E
SCHEMBL30285593 0.83 NPC1 (0.41) MCL1BADLMNAALDH1A1MAPT
SCHEMBL7013723 0.81 POLB (0.58) POLBL3MBTL1KDM4ELMNAALDH1A1
SCHEMBL2590967 0.80 CNR2 (0.45) L3MBTL1KDM4EALDH1A1KMT2ACNR2
SCHEMBL30808103 0.79 HTR2C (0.55) NR4A2KDM4ELMNA
SCHEMBL1587389 0.78 TSPO (0.50) LMNAPLK1ALDH1A1MAPTKMT2A
SCHEMBL28800286 0.78 HTR2C (0.40) MCL1KDM4EALDH1A1
SCHEMBL2035893 0.77 CNR2 (0.54) MCL1BADL3MBTL1ALDH1A1MAPT
SCHEMBL28178378 0.77 CNR2 (0.56) MCL1BADCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102858764-B Pyrimidinyl indole compounds HUTCHISON MEDIPHARMA SHANGHAI LTD 2014-08-20 CN disclosed
EP-2563774-B1 PYRIMIDINYL INDOLE COMPOUNDS HUTCHISON MEDIPHARMA LTD (CN) 2014-03-12 EP disclosed
US-8501166-B2 Pyrimidinyl indole compounds HUTCHISON MEDIPHARMA LIMITED (CN) 2013-08-06 US disclosed
US-20130058892-A1 PYRIMIDINYL INDOLE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2013-03-07 US disclosed
EP-2563774-A1 PYRIMIDINYL INDOLE COMPOUNDS Hutchison Medipharma Limited (CN) 2013-03-06 EP disclosed
CN-102858764-A Pyrimidinyl indole compounds HUTCHISON MEDIPHARMA SHANGHAI LTD 2013-01-02 CN disclosed
WO-2011134140-A1 PYRIMIDINYL INDOLE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-03 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-20130058892-A1 PYRIMIDINYL INDOLE COMPOUNDS NFKBIA, JAK2, IRF3 MCL1 256/4885BAD 590/4885POLB 2785/4885

“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.