SCHEMBL4363785

SCHEMBL4363785

CCOc1ccccc1-c1cc2c(c3c1CCN(CC)C3)NC(=O)/C2=N/O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CHEK1 O14757 1/20 0.34
WEE1 P30291 1/20 0.34
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
PARP1 P09874 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL3020910 1.00 ALDH1A1 (0.36) ALDH1A1MAPTSMN1; SMN2HTTDDB1
SCHEMBL4349102 0.92 PARP1 (0.40) ALDH1A1PARP1KMT2AKDM4E
SCHEMBL3020890 0.92 PARP1 (0.40) ALDH1A1PARP1KMT2AKDM4E
SCHEMBL3020895 0.92 PARP1 (0.40) ALDH1A1PARP1KMT2AKDM4E
SCHEMBL8111903 0.90 HTR2A (0.33) ALDH1A1HTTDDB1CRBNHTR2A
SCHEMBL14287098 0.90 MAPT (0.38) ALDH1A1MAPTSMN1; SMN2HTTDDB1
SCHEMBL3028481 0.84 CHRM2 (0.37)
SCHEMBL3028483 0.84 CHRM2 (0.37)
SCHEMBL14311499 0.84 CHRM2 (0.37)
SCHEMBL3026871 0.83 F12 (0.37) ALDH1A1SMN1; SMN2PARP1

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-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US claimed
US-20100197721-A1 PYRROLO [3, 4-h] ISOQUINOLINE COMPOUNDS AND METHODS FOR MODULATING GATED ION CHANNELS AROS PHARMA APS (DK) 2010-08-05 US disclosed
US-20100197721-A1 PYRROLO [3, 4-h] ISOQUINOLINE COMPOUNDS AND METHODS FOR MODULATING GATED ION CHANNELS AROS PHARMA APS (DK) 2010-08-05 US disclosed
US-7718641-B2 Pyrrolo [3,4-H] isoquinoline compounds and methods for modulating gated ion channels AROS PHARMA APS (DE) 2010-05-18 US disclosed
US-7718641-B2 Pyrrolo [3,4-H] isoquinoline compounds and methods for modulating gated ion channels AROS PHARMA APS (DE) 2010-05-18 US disclosed
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20070191418-A1 Compositions and methods for modulating gated ion channels AROS PHARMA APS (DK) 2007-08-16 US disclosed
US-20070191418-A1 Compositions and methods for modulating gated ion channels AROS PHARMA APS (DK) 2007-08-16 US disclosed
WO-2007059608-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 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-20070191418-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 ALDH1A1 4554/4885MAPT 1841/4885SMN1; SMN2 1321/4885
US-20080004272-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 ALDH1A1 4554/4885MAPT 1841/4885SMN1; SMN2 1321/4885
US-20100197721-A1 PYRROLO [3, 4-h] ISOQUINOLINE COMPOUNDS AND METHODS FOR MODULATING GATED ION CHANNELS KCNQ1, KCNQ2, KCNH3 ALDH1A1 4102/4885MAPT 2389/4885SMN1; SMN2 2167/4885
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS ASIC1, ASIC3, TRPV1 ALDH1A1 3889/4885MAPT 2746/4885SMN1; SMN2 1685/4885

“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.