SCHEMBL3019836

SCHEMBL3019836

COc1ccc(Cl)cc1-c1cc2c(c3c1CCN(C)C3)NC(=O)C2=NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.37
MAPT P10636 5/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CDYL Q9Y232 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MPO P05164 1/20 0.34
TPO P07202 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR1B P28222 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL3019834 1.00 HRH4 (0.37) HRH4MAPTGAAMEN1KMT2A
SCHEMBL3024239 0.89 CCNT1 (0.36) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL4352647 0.89 MAPT (0.36) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL4352645 0.89 MAPT (0.36) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL3013040 0.89 CCNT1 (0.36) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL8111928 0.89 CCNT1 (0.36) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL3025548 0.88 F12 (0.38) GAAMPOTPOHTR2AHTR2C
SCHEMBL3025551 0.88 F12 (0.38) GAAMPOTPOHTR2AHTR2C
SCHEMBL14287095 0.87 CDYL (0.41) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL14287091 0.87 MAPT (0.35) MAPTGAAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197721-A1 PYRROLO [3, 4-h] ISOQUINOLINE COMPOUNDS AND METHODS FOR MODULATING GATED ION CHANNELS AROS PHARMA APS (DK) 2010-08-05 US claimed
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US claimed
US-20070191418-A1 Compositions and methods for modulating gated ion channels AROS PHARMA APS (DK) 2007-08-16 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-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-20070191418-A1 Compositions and methods for modulating gated ion channels AROS PHARMA APS (DK) 2007-08-16 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 (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-20070191418-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 HRH4 1425/4885MAPT 1841/4885GAA 3748/4885
US-20100197721-A1 PYRROLO [3, 4-h] ISOQUINOLINE COMPOUNDS AND METHODS FOR MODULATING GATED ION CHANNELS KCNQ1, KCNQ2, KCNH3 HRH4 457/4885MAPT 2389/4885GAA 4345/4885
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS ASIC1, ASIC3, TRPV1 HRH4 565/4885MAPT 2746/4885GAA 640/4885

“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.