SCHEMBL2200986

SCHEMBL2200986

O=C1OCc2nc(CCCN3CCN(CCOCCO)CC3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.45
CDC25B P30305 1/20 0.41
KCNJ1 P48048 3/20 0.39
HTR2A P28223 3/20 0.39
HTR2B P41595 3/20 0.39
CHRM2 P08172 2/20 0.39
ADRA2A P08913 2/20 0.39
DRD2 P14416 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
DRD4 P21917 2/20 0.39
HRH2 P25021 2/20 0.39
HTR7 P34969 2/20 0.39
ADRA1A P35348 2/20 0.39
HRH1 P35367 2/20 0.39
DRD3 P35462 2/20 0.39
OPRK1 P41145 2/20 0.39
HTR6 P50406 2/20 0.39
HTR1A P08908 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2199625 0.90 KCNH2 (0.42) KCNH2CDC25BKCNJ1HTR2AHTR2B
SCHEMBL2203649 0.83 KCNH2 (0.47) KCNH2KCNJ1SIGMAR1HRH3
SCHEMBL2203437 0.81 SIGMAR1 (0.47) KCNH2KCNJ1DRD2HTR7HTR6
SCHEMBL2202947 0.81 KCNH2 (0.45) KCNH2KCNJ1CHRM1SIGMAR1
SCHEMBL2200678 0.78 PDGFRB (0.37)
SCHEMBL12225684 0.78 PDGFRB (0.37)
SCHEMBL2199433 0.78 PDGFRB (0.37)
SCHEMBL2200558 0.75 MAPT (0.46) KCNH2LMNAMEN1KMT2AHRH3
SCHEMBL2202921 0.73 KCNH2 (0.51) KCNH2KCNJ1SIGMAR1
SCHEMBL12225674 0.72 PDGFRB (0.36) KCNH2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
WO-2007109596-A2 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2007-09-27 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 (2 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-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors REN, JAK2, ABL1 KCNH2 2775/4885CDC25B 389/4885KCNJ1 2909/4885
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS REN, JAK2, ABL1 KCNH2 2775/4885CDC25B 389/4885KCNJ1 2909/4885

“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.