SCHEMBL9980573

SCHEMBL9980573

COc1ccc(Cn2c(=O)ccc3ncc(N4CC(N5CCN(C(C)C)CC5)C4)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 7/20 0.47
KCNH2 Q12809 3/20 0.40
PDE5A O76074 1/20 0.39
PDE1A P54750 1/20 0.38
PDE1C Q14123 1/20 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
SCHEMBL16203226 0.89 PDE1B (0.46) PDE1BKCNH2
SCHEMBL9980444 0.82 PDE1B (0.45) PDE1BKCNH2PDE5APDE1APDE1C
SCHEMBL9980490 0.79 PDE5A (0.47) PDE1BKCNH2PDE5A
SCHEMBL14951828 0.75 JAK3 (0.31)
SCHEMBL22075277 0.75 PDE1B (0.49) PDE1BKCNH2
SCHEMBL22075278 0.74 KCNH2 (0.43) PDE1BKCNH2
SCHEMBL9980488 0.72 PDE1B (0.56) PDE1BPDE5A
SCHEMBL30579138 0.72 PDE1B (0.46) PDE1BKCNH2
SCHEMBL9980553 0.70 MET (0.39)
SCHEMBL24138327 0.66 PDE5A (0.54) PDE5A

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 37 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
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-9295673-B2 Combination of mTOR inhibitors and P13-kinase inhibitors, and uses thereof INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-9295673-B2 Combination of mTOR inhibitors and P13-kinase inhibitors, and uses thereof INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-10-03 US disclosed
CN-103153062-A Heterocyclic compounds and their use INTELLIKINE INC 2013-06-12 CN 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
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 (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-20160089371-A1 Combination of Kinase Inhibitors and Uses Thereof MTOR, PIK3CA, AKT1 PDE1B 529/4885KCNH2 4083/4885PDE5A 1272/4885
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PDE1B 986/4885KCNH2 4225/4885PDE5A 1324/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 PDE1B 576/4885KCNH2 4569/4885PDE5A 1946/4885

“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.