SCHEMBL10174368

SCHEMBL10174368

COCc1cc(C)nn1CC(C)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CSNK2A1 P68400 3/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL10141570 0.85 CSNK2A1 (0.35) LMNACSNK2A1
SCHEMBL24884396 0.75 LMNA (0.64) LMNAAPAF1POLBKMT2AKDM4E
SCHEMBL14578729 0.75 LMNA (0.64) LMNAAPAF1POLBKMT2AKDM4E
SCHEMBL24007741 0.70 LMNA (0.41) LMNAAPAF1POLBKMT2AKDM4E
SCHEMBL8270922 0.70 FFAR1 (0.40)
SCHEMBL3042204 0.69 LMNA (0.44) LMNAAPAF1POLBKMT2AKDM4E
SCHEMBL21961380 0.67 MAPK1 (0.52) LMNAAPAF1POLBKMT2AALDH1A1
SCHEMBL2358695 0.66 LMNA (0.40) LMNAAPAF1POLBKMT2AKDM4E
SCHEMBL3762594 0.62 KMT2A (0.64) LMNAAPAF1POLBKMT2AKDM4E
SCHEMBL17525888 0.62 LMNA (0.44) LMNAPOLBKMT2AALDH1A1L3MBTL1

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
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-3309152-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2018-04-18 EP disclosed
EP-2516417-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2017-10-11 EP disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US 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 (3 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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 LMNA 2298/4885APAF1 2243/4885POLB 971/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 LMNA 2298/4885APAF1 2243/4885POLB 971/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 LMNA 2298/4885APAF1 2243/4885POLB 971/4885

“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.