SCHEMBL10174367

SCHEMBL10174367

Cc1ccn(CC2CCCCO2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.41
▸ PDE8B O95263 2/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PDE1A P54750 3/20 0.38
▸ PDE1B Q01064 3/20 0.38
▸ PDE4D Q08499 3/20 0.38
▸ PDE1C Q14123 3/20 0.38

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
SCHEMBL10141574 0.81 ALDH1A1 (0.37) BRD4PDE8BHTR2AHTR2CSLC6A4
SCHEMBL15034179 0.79 CHRM2 (0.37) HTR2AKDM4EKMT2AALDH1A1GAA
SCHEMBL19446083 0.77 BRD4 (0.38) BRD4PDE8BHTR2AKDM4EKMT2A
SCHEMBL25617367 0.77 KDM4E (0.40) TSHRKDM4EKMT2ACYP2C9CYP2C19
SCHEMBL25859573 0.77 KDM4E (0.40) TSHRKDM4EKMT2ACYP2C9CYP2C19
SCHEMBL24915274 0.76 KDM4E (0.42) TSHRKDM4EKMT2ACYP2C9CYP2C19
SCHEMBL25862304 0.74 KMT2A (0.39) TSHRKDM4EKMT2ACYP2C9CYP2C19
SCHEMBL13465999 0.74 ALDH1A1 (0.48) BRD4PDE8BTSHRKDM4EKMT2A
SCHEMBL6935094 0.74 ALDH1A1 (0.48) BRD4PDE8BTSHRKDM4EKMT2A
SCHEMBL12093357 0.74 ALDH1A1 (0.48) BRD4PDE8BTSHRKDM4EKMT2A

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 10 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-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 BRD4 1204/4885PDE8B 892/4885HTR2A 2831/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 BRD4 1204/4885PDE8B 892/4885HTR2A 2831/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 BRD4 1204/4885PDE8B 892/4885HTR2A 2831/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 BRD4 1204/4885PDE8B 892/4885HTR2A 2831/4885

“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.

Send feedback