SCHEMBL4789449

SCHEMBL4789449

COc1ccc(Cn2ncc3cc(C(=O)O)cnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 1/20 0.46
NPBWR1 P48145 6/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALKBH1 Q13686 1/20 0.45
UCHL1 P09936 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
CNR2 P34972 1/20 0.43
PTGER4 P35408 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL14027882 0.86 MAOB (0.58) PDE1BNPC1SMN1; SMN2UCHL1ALDH1A1
SCHEMBL29600977 0.86 MAOB (0.58) PDE1BNPC1SMN1; SMN2UCHL1ALDH1A1
SCHEMBL7981157 0.82 PLA2G4A (0.54) NPBWR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL1614464 0.81 HDAC8 (0.54) PDE1BNPC1POLBRAB9ASMN1; SMN2
SCHEMBL2961568 0.80 PDE1B (0.52) PDE1BNPBWR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL14754800 0.80 ALDH1A1 (0.47) PDE1BNPBWR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL20177016 0.80 NPBWR1 (0.44) PDE1BNPBWR1UCHL1MCHR1
SCHEMBL28431943 0.79 PDE1B (0.49) PDE1BNPC1POLBRAB9ASMN1; SMN2
SCHEMBL30844170 0.79 NPBWR1 (0.45) PDE1BNPBWR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3282399 0.76 MGAM (0.41) POLBALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108715590-B Thiazolecarboxamide and picolinamide compounds useful as PIM kinase inhibitors 因赛特公司 2022-03-08 CN disclosed
US-11229631-B2 Thiazolecarboxamides and pyridinecarboxamide compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2022-01-25 US disclosed
EP-2820018-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES Genentech, Inc. (US) 2015-01-07 EP disclosed
EP-2820008-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES Genentech, Inc. (US) 2015-01-07 EP disclosed
WO-2013127269-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES GENENTECH,INC. (US) 2013-09-06 WO disclosed
WO-2013127266-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES GENENTECH, INC. (US) 2013-09-06 WO disclosed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 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-11229631-B2 Thiazolecarboxamides and pyridinecarboxamide compounds useful as Pim kinase inhibitors PIM2, PIM1, PIM3 PDE1B 2414/4885NPBWR1 3743/4885NPC1 2615/4885

“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.