SCHEMBL3024239

SCHEMBL3024239

COc1ccc(F)cc1-c1cc2c(c3c1CCN(C)C3)NC(=O)/C2=N/O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.36
CDK9 P50750 6/20 0.36
CREBBP Q92793 1/20 0.36
CDYL Q9Y232 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.35
LRRK2 Q5S007 2/20 0.34
BACE1 P56817 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM1 P11229 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
SCHEMBL3013040 1.00 CCNT1 (0.36) CCNT1CDK9CREBBPCDYLMAPT
SCHEMBL8111928 1.00 CCNT1 (0.36) CCNT1CDK9CREBBPCDYLMAPT
SCHEMBL13667575 0.94 MAPT (0.32) CCNT1CDK9CREBBPCDYLMAPT
SCHEMBL14287103 0.93 WDR5 (0.36) CCNT1CDK9CDYLMAPTGAA
SCHEMBL14422908 0.91 GAA (0.40) CCNT1CDK9CREBBPCDYLMAPT
SCHEMBL14287083 0.91 CCNT1 (0.37) CCNT1CDK9CREBBPCDYLMAPT
SCHEMBL14287169 0.91 SCN9A (0.37) CCNT1CDK9CREBBPCDYLMAPT
SCHEMBL14287095 0.89 CDYL (0.41) CDYLMAPTGAAKDM4EMEN1
SCHEMBL4352645 0.89 MAPT (0.36) CDYLMAPTGAAKDM4EMEN1
SCHEMBL8119153 0.89 CCNT1 (0.36) CCNT1CDK9SCN9ALRRK2

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 16 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-7718641-B2 Pyrrolo [3,4-H] isoquinoline compounds and methods for modulating gated ion channels AROS PHARMA APS (DE) 2010-05-18 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-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-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
WO-2008144931-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-04 WO 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 (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 CCNT1 4868/4885CDK9 4231/4885CREBBP 2159/4885
US-20100197721-A1 PYRROLO [3, 4-h] ISOQUINOLINE COMPOUNDS AND METHODS FOR MODULATING GATED ION CHANNELS KCNQ1, KCNQ2, KCNH3 CCNT1 4700/4885CDK9 3650/4885CREBBP 1856/4885
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS ASIC1, ASIC3, TRPV1 CCNT1 4864/4885CDK9 4007/4885CREBBP 4158/4885

“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.