SCHEMBL3016791

SCHEMBL3016791

CCN1CCc2c(-c3cc(F)ccc3OC)cc3c(c2C1)NC(=O)C3=NO

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 13/20 0.39
CDK9 P50750 13/20 0.39
F12 P00748 4/20 0.38
PARP1 P09874 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL8126173 1.00 CCNT1 (0.39) CCNT1CDK9F12PARP1CREBBP
SCHEMBL3016788 1.00 CCNT1 (0.39) CCNT1CDK9F12PARP1CREBBP
SCHEMBL13667574 0.94 CCNT1 (0.35) CCNT1CDK9F12
SCHEMBL8120500 0.90 CCNT1 (0.40) CCNT1CDK9F12
SCHEMBL4349102 0.90 PARP1 (0.40) PARP1
SCHEMBL3020890 0.90 PARP1 (0.40) PARP1
SCHEMBL3020895 0.90 PARP1 (0.40) PARP1
SCHEMBL13669844 0.90 CCNT1 (0.36) CCNT1CDK9F12
SCHEMBL4353183 0.89 PARP1 (0.35) PARP1
SCHEMBL4353181 0.89 PARP1 (0.35) PARP1

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 8 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-20080004282-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

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 CCNT1 4868/4885CDK9 4231/4885F12 4561/4885
US-20080004282-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 CCNT1 4868/4885CDK9 4231/4885F12 4561/4885
US-20100197721-A1 PYRROLO [3, 4-h] ISOQUINOLINE COMPOUNDS AND METHODS FOR MODULATING GATED ION CHANNELS KCNQ1, KCNQ2, KCNH3 CCNT1 4700/4885CDK9 3650/4885F12 4878/4885
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS ASIC1, ASIC3, TRPV1 CCNT1 4864/4885CDK9 4007/4885F12 4724/4885

“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.