SCHEMBL1759351

SCHEMBL1759351

CCCOc1cccc2ccncc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.51
KCNA3 P22001 1/20 0.51
PDE5A O76074 2/20 0.50
TNF P01375 1/20 0.50
HTR1B P28222 8/20 0.48
HTR1D P28221 3/20 0.47
MAPT P10636 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL1660061 0.91 KCNA3 (0.56) MCHR1KCNA3PDE5ATNFHTR1B
SCHEMBL5449325 0.87 KCNA3 (0.67) MCHR1KCNA3PDE5AHTR1BHTR1D
SCHEMBL11713358 0.87 KCNA3 (0.47) KCNA3TNFMAPT
SCHEMBL14603570 0.84 TNF (0.56) KCNA3TNFHTR1BHTR1DMAPT
SCHEMBL28985974 0.84 HTR1B (0.65) KCNA3TNFHTR1BHTR1DMAPT
SCHEMBL6197255 0.80 KCNA3 (0.47) KCNA3TNFMAPT
SCHEMBL2116954 0.79 HTR1B (0.70) KCNA3HTR1BHTR1DCNR1CNR2
SCHEMBL30209610 0.79 HTR1B (0.70) KCNA3HTR1BHTR1DCNR1CNR2
SCHEMBL1491286 0.78 MAPT (0.56) MCHR1TNFMAPT
SCHEMBL21266927 0.76 IKBKB (0.50) KCNA3TNFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332917-B1 Compounds for PIM kinase inhibition and for treating malignancy SYGNIS BIOSCIENCE GMBH & CO KG (DE) 2012-08-01 EP disclosed
EP-2332917-B1 Compounds for PIM kinase inhibition and for treating malignancy SYGNIS BIOSCIENCE GMBH & CO KG (DE) 2012-08-01 EP disclosed
EP-2332917-A1 Compounds for PIM kinase inhibition and for treating malignancy Sygnis Bioscience GmbH & Co. KG (DE) 2011-06-15 EP disclosed
EP-2332917-A1 Compounds for PIM kinase inhibition and for treating malignancy Sygnis Bioscience GmbH & Co. KG (DE) 2011-06-15 EP disclosed
WO-2011057784-A1 COMPOUNDS FOR PIM KINASE INHIBITION AND FOR TREATING MALIGNANCY SYGNIS BIOSCIENCE GMBH & CO. KG (DE) 2011-05-19 WO disclosed
WO-2011057784-A1 COMPOUNDS FOR PIM KINASE INHIBITION AND FOR TREATING MALIGNANCY SYGNIS BIOSCIENCE GMBH & CO. KG (DE) 2011-05-19 WO disclosed
US-20100160297-A1 COMPOUNDS FOR PIM KINASE INHIBITION AND FOR TREATING MALIGNANCY AMNESTIX, INC. 2010-06-24 US disclosed
US-20100160297-A1 COMPOUNDS FOR PIM KINASE INHIBITION AND FOR TREATING MALIGNANCY AMNESTIX, INC. 2010-06-24 US disclosed
US-20100160297-A1 COMPOUNDS FOR PIM KINASE INHIBITION AND FOR TREATING MALIGNANCY AMNESTIX, INC. 2010-06-24 US disclosed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US disclosed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP disclosed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 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 (2 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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 MCHR1 3716/4885KCNA3 1080/4885PDE5A 435/4885
US-20100160297-A1 COMPOUNDS FOR PIM KINASE INHIBITION AND FOR TREATING MALIGNANCY PIM1, PIM2, PIM3 MCHR1 3842/4885KCNA3 4305/4885PDE5A 1851/4885

“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.