SCHEMBL2591341

SCHEMBL2591341

C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)CCN1c1nccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 1.00
UGT1A1 P22309 1/20 0.67
PDE4A P27815 1/20 0.67
PDE4B Q07343 1/20 0.67
PDE4C Q08493 1/20 0.67
PDE4D Q08499 1/20 0.67
KCNH2 Q12809 1/20 0.67

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
SCHEMBL12182680 1.00 HSD11B1 (1.00) HSD11B1UGT1A1PDE4APDE4BPDE4C
SCHEMBL2591344 1.00 HSD11B1 (1.00) HSD11B1UGT1A1PDE4APDE4BPDE4C
SCHEMBL2592907 0.93 HSD11B1 (0.90) HSD11B1UGT1A1PDE4APDE4BPDE4C
SCHEMBL2592904 0.93 HSD11B1 (0.90) HSD11B1UGT1A1PDE4APDE4BPDE4C
SCHEMBL12182801 0.93 HSD11B1 (0.90) HSD11B1UGT1A1PDE4APDE4BPDE4C
SCHEMBL12182681 0.92 HSD11B1 (1.00) HSD11B1UGT1A1PDE4APDE4BPDE4C
SCHEMBL2590507 0.92 HSD11B1 (1.00) HSD11B1UGT1A1PDE4APDE4BPDE4C
SCHEMBL2590506 0.92 HSD11B1 (1.00) HSD11B1UGT1A1PDE4APDE4BPDE4C
SCHEMBL2593212 0.91 HSD11B1 (1.00) HSD11B1UGT1A1PDE4APDE4BPDE4C
SCHEMBL12183585 0.91 HSD11B1 (1.00) HSD11B1UGT1A1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566859-B1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO LTD (KR) 2016-12-21 EP claimed
US-9096571-B2 Picolinamide and pyrimidine-4-carboxamide compounds, process for preparing and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-08-04 US claimed
US-20130210811-A1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2013-08-15 US claimed
EP-2566859-A2 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Sk Chemicals Co., Ltd. (KR) 2013-03-13 EP claimed
WO-2011139107-A2 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO.,LTD. (KR) 2011-11-10 WO claimed

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-20130210811-A1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME HSD11B1, HSD11B2, G6PC1 HSD11B1 1/4885UGT1A1 350/4885PDE4A 440/4885

“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.