SCHEMBL3025548

SCHEMBL3025548

CCN1CCc2c(-c3cc(Cl)ccc3OC)cc3c(c2C1)NC(=O)/C3=N/O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 2/20 0.38
F2 P00734 1/20 0.38
DRD4 P21917 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MPO P05164 1/20 0.34
TPO P07202 1/20 0.34
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
POLB P06746 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
LMNA P02545 2/20 0.33
RAD52 P43351 1/20 0.33
KCNH2 Q12809 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
SCHEMBL3025551 1.00 F12 (0.38) F12F2DRD4PRMT5WDR77
SCHEMBL4353181 0.89 PARP1 (0.35) PARP1GAALMNARAD52
SCHEMBL3016791 0.89 CCNT1 (0.39) F12PARP1
SCHEMBL4353183 0.89 PARP1 (0.35) PARP1GAALMNARAD52
SCHEMBL3016788 0.89 CCNT1 (0.39) F12PARP1
SCHEMBL8126173 0.89 CCNT1 (0.39) F12PARP1
SCHEMBL3019834 0.88 HRH4 (0.37) PRMT5WDR77GAAMPOTPO
SCHEMBL3019836 0.88 HRH4 (0.37) PRMT5WDR77GAAMPOTPO
SCHEMBL3020895 0.88 PARP1 (0.40) PARP1ALDH1A1RAD52
SCHEMBL4349102 0.88 PARP1 (0.40) PARP1ALDH1A1RAD52

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 19 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-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-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
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 F12 4561/4885F2 4772/4885DRD4 2279/4885
US-20080004272-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 F12 4561/4885F2 4772/4885DRD4 2279/4885
US-20100197721-A1 PYRROLO [3, 4-h] ISOQUINOLINE COMPOUNDS AND METHODS FOR MODULATING GATED ION CHANNELS KCNQ1, KCNQ2, KCNH3 F12 4878/4885F2 4799/4885DRD4 1488/4885
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS ASIC1, ASIC3, TRPV1 F12 4724/4885F2 4704/4885DRD4 3379/4885

“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.