SCHEMBL9980490

SCHEMBL9980490

COc1ccc(Cn2c(=O)ccc3ncc(N4CC(=O)C4)cc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.47
PIK3CD O00329 2/20 0.43
DCTPP1 Q9H773 2/20 0.42
KCNH2 Q12809 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
PDE1B Q01064 2/20 0.41
GABRA5 P31644 1/20 0.41

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
SCHEMBL9980444 0.86 PDE1B (0.45) PDE5APIK3CDKCNH2PDE1B
SCHEMBL9980488 0.81 PDE1B (0.56) PDE5APIK3CDDCTPP1USP2ALDH1A1
SCHEMBL22075277 0.80 PDE1B (0.49) KCNH2PDE1B
SCHEMBL16203226 0.80 PDE1B (0.46) KCNH2ALDH1A1PDE1B
SCHEMBL22075278 0.79 KCNH2 (0.43) KCNH2PDE1B
SCHEMBL9980573 0.79 PDE1B (0.47) PDE5AKCNH2PDE1B
SCHEMBL30579138 0.77 PDE1B (0.46) KCNH2PDE1B
SCHEMBL24138327 0.74 PDE5A (0.54) PDE5AALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL31138328 0.74 PDE5A (0.54) PDE5AALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL4042951 0.74 PDE5A (0.54) PDE5APIK3CDUSP2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 US disclosed
EP-2575462-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2016-06-22 EP disclosed
EP-2575462-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2016-06-22 EP disclosed
US-9359352-B2 Substituted benzimidazoles as PI3 kinase inhibitors INTELLIKINE LLC (US) 2016-06-07 US disclosed
US-9359352-B2 Substituted benzimidazoles as PI3 kinase inhibitors INTELLIKINE LLC (US) 2016-06-07 US disclosed
US-9359352-B2 Substituted benzimidazoles as PI3 kinase inhibitors INTELLIKINE LLC (US) 2016-06-07 US disclosed
US-20160089371-A1 Combination of Kinase Inhibitors and Uses Thereof INTELLIKINE LLC 2016-03-31 US disclosed
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-10-03 US disclosed
WO-2013078441-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-05-30 WO disclosed
WO-2013078441-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-05-30 WO disclosed
WO-2013071264-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE, LLC (US) 2013-05-16 WO disclosed
EP-2575462-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Intellikine, LLC (US) 2013-04-10 EP disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
WO-2012148540-A1 COMBINATION OF KANASE INHIBITORS AND USES THREOF INTELLIKINE, LLC (US) 2012-11-01 WO disclosed
WO-2011149937-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-12-01 WO disclosed
WO-2011149937-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-12-01 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 (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-20160089371-A1 Combination of Kinase Inhibitors and Uses Thereof MTOR, PIK3CA, AKT1 PDE5A 1272/4885PIK3CD 14/4885DCTPP1 834/4885
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR PDE5A 2340/4885PIK3CD 14/4885DCTPP1 769/4885
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PDE5A 1324/4885PIK3CD 2/4885DCTPP1 1396/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 PDE5A 1946/4885PIK3CD 24/4885DCTPP1 695/4885

“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.