SCHEMBL2587901

SCHEMBL2587901

CC1(C)CCCN(C(=O)c2cccc(N3CCCCC3)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.53
GNE Q9Y223 1/20 0.48
GRM5 P41594 2/20 0.46
HSD17B14 Q9BPX1 1/20 0.45
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
CYP2C9 P11712 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 3/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 2/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
PTK2 Q05397 1/20 0.39
PRKCQ Q04759 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2593371 0.88 HSD11B1 (0.47) HSD11B1GNEGRM5ALDH1A1MEN1
SCHEMBL15188021 0.86 HSD11B1 (0.48) HSD11B1GNEGRM5ALDH1A1HPGD
SCHEMBL2595353 0.85 HSD11B1 (0.47) HSD11B1GRM5ALDH1A1MEN1KMT2A
SCHEMBL2594269 0.85 HSD11B1 (0.47) HSD11B1GRM5ALDH1A1MEN1KMT2A
SCHEMBL2591358 0.84 GAA (0.52) HSD11B1ALDH1A1MEN1CYP2C9KMT2A
SCHEMBL2594875 0.82 HSD11B1 (0.59) HSD11B1GNEGRM5HSD17B14CYP2C19
SCHEMBL2595301 0.81 GNE (0.48) GNEGRM5ALDH1A1MEN1CYP2C9
SCHEMBL2591255 0.77 HSD11B1 (0.56) HSD11B1GNEHSD17B14ALDH1A1HPGD
SCHEMBL2591350 0.76 HSD11B1 (0.65) HSD11B1GNEHSD17B14SMN1; SMN2CYP3A4
SCHEMBL27896675 0.75 HSD17B14 (0.64) HSD11B1GNEHSD17B14PRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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-20130210811-A1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME HSD11B1, HSD11B2, G6PC1 HSD11B1 1/4885GNE 2193/4885GRM5 1696/4885

“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.