SCHEMBL612852

SCHEMBL612852

CCOC(=O)c1c(C)cc(Cl)nc1CCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.50
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
S1PR2 O95136 1/20 0.41
ADORA1 P30542 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40

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
SCHEMBL31644242 1.00 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EALDH1A1CYP3A4TDP1
SCHEMBL24773784 0.91 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1CYP3A4TDP1
SCHEMBL2129042 0.85 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1CYP3A4TDP1
SCHEMBL1085394 0.84 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1CYP3A4TDP1
SCHEMBL25246581 0.81 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1CYP3A4TDP1
SCHEMBL1430698 0.80 ALDH1A1 (0.58) SMN1; SMN2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL15525056 0.80 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1CYP3A4TDP1
SCHEMBL2129432 0.78 NR1H2 (0.47) SMN1; SMN2KDM4EALDH1A1CYP3A4TDP1
SCHEMBL17076373 0.78 NR1H2 (0.47) SMN1; SMN2KDM4EALDH1A1CYP3A4TDP1
SCHEMBL2129072 0.78 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EALDH1A1CYP3A4TDP1

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092799-A1 MNK INHIBITORS HEPAGENE THERAPEUTICS HK LTD (CN) 2024-03-21 US disclosed
CN-116490505-A MNK inhibitors 和博医药有限公司 2023-07-25 CN disclosed
EP-4200296-A1 MNK INHIBITORS Hepagene Therapeutics (HK) Limited (HK) 2023-06-28 EP disclosed
WO-2022038563-A1 MNK INHIBITORS Hepagene Therapeutics (HK) Limited (CN) 2022-02-24 WO disclosed
EP-3808739-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2021-04-21 EP disclosed
EP-3309152-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2020-09-09 EP disclosed
EP-3412668-B1 A SELECTIVE INHIBITOR OF PHOSPHATIDYLINOSITOL 3-KINASE-GAMMA VERTEX PHARMA (US) 2020-02-05 EP disclosed
US-10301304-B2 Selective inhibitor of phosphatidylinositol 3-kinase-gamma VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-28 US disclosed
US-10301304-B2 Selective inhibitor of phosphatidylinositol 3-kinase-gamma VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-28 US disclosed
US-20190152988-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (JP) 2019-05-23 US disclosed
EP-2516417-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2012-10-31 EP disclosed
CN-102762548-A Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMA 2012-10-31 CN disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
WO-2011087776-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 WO disclosed
WO-2011087776-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 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 (5 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-20240092799-A1 MNK INHIBITORS MKNK1, MATK, NEK1 SMN1; SMN2 360/4885KDM4E 777/4885ALDH1A1 4526/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 SMN1; SMN2 1801/4885KDM4E 2889/4885ALDH1A1 3381/4885
US-20190152988-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 NEK9, NEK2, NEK3 SMN1; SMN2 723/4885KDM4E 2745/4885ALDH1A1 2954/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 SMN1; SMN2 1801/4885KDM4E 2889/4885ALDH1A1 3381/4885
US-10301304-B2 Selective inhibitor of phosphatidylinositol 3-kinase-gamma PIK3CA, PIK3CG, PIK3CD SMN1; SMN2 1669/4885KDM4E 1682/4885ALDH1A1 4417/4885

“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.