SCHEMBL3485966

SCHEMBL3485966

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3cccs3)C4(C)C)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.70
ABL1 P00519 1/20 0.70
BCR P11274 1/20 0.70
PLK1 P53350 1/20 0.70
NTRK1 P04629 5/20 0.58
NTRK3 Q16288 5/20 0.58
NTRK2 Q16620 5/20 0.58
CCNA2 P20248 10/20 0.57
CDK2 P24941 10/20 0.57
CCNA1 P78396 10/20 0.57

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
SCHEMBL2915171 0.88 CDK2 (0.64) AURKAABL1BCRPLK1NTRK1
SCHEMBL2915167 0.87 AURKA (0.69) AURKAABL1BCRPLK1NTRK1
SCHEMBL1987040 0.85 NTRK1 (0.62) AURKAABL1BCRPLK1NTRK1
SCHEMBL1982228 0.85 NTRK1 (0.60) AURKAABL1BCRPLK1NTRK1
SCHEMBL1983725 0.85 NTRK1 (0.61) AURKAABL1BCRPLK1NTRK1
SCHEMBL1984103 0.85 NTRK1 (0.70) AURKANTRK1NTRK3NTRK2CCNA2
SCHEMBL1987061 0.85 NTRK1 (0.61) AURKAABL1BCRPLK1NTRK1
SCHEMBL3485039 0.85 NTRK1 (0.62) AURKAABL1BCRPLK1NTRK1
SCHEMBL3485984 0.85 CCNA2 (0.69) AURKANTRK1NTRK3NTRK2CCNA2
SCHEMBL3485271 0.84 NTRK1 (0.60) AURKAABL1BCRPLK1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227472-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-07-24 US claimed
US-20100010008-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-14 US claimed
EP-2089394-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2009-08-19 EP claimed
WO-2008043745-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-04-17 WO claimed
US-8623876-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-01-07 US disclosed
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-01 US disclosed
US-8227472-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-07-24 US disclosed
US-20100010008-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-14 US disclosed
EP-2089394-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2009-08-19 EP disclosed
WO-2008043745-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-04-17 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-20100010008-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 AURKA 414/4885ABL1 166/4885BCR 796/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 AURKA 414/4885ABL1 166/4885BCR 796/4885

“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.