SCHEMBL3484465

SCHEMBL3484465

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3ccc(Cl)cc3Cl)C4(C)C)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 11/20 0.59
CDK2 P24941 11/20 0.59
CCNA1 P78396 11/20 0.59
NTRK1 P04629 5/20 0.58
NTRK3 Q16288 4/20 0.58
NTRK2 Q16620 4/20 0.58
PRKCB P05771 1/20 0.54
AURKA O14965 3/20 0.49
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
PLK1 P53350 1/20 0.48

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
SCHEMBL1987061 0.91 NTRK1 (0.61) CCNA2CDK2CCNA1NTRK1NTRK3
SCHEMBL3485445 0.88 NTRK1 (0.60) CCNA2CDK2CCNA1NTRK1NTRK3
SCHEMBL1982228 0.87 NTRK1 (0.60) CCNA2CDK2CCNA1NTRK1NTRK3
SCHEMBL3485545 0.86 NTRK1 (0.65) CCNA2CDK2CCNA1NTRK1NTRK3
SCHEMBL3485846 0.86 NTRK1 (0.65) CCNA2CDK2CCNA1NTRK1NTRK3
SCHEMBL1987040 0.85 NTRK1 (0.62) CCNA2CDK2CCNA1NTRK1NTRK3
SCHEMBL1983725 0.84 NTRK1 (0.61) CCNA2CDK2CCNA1NTRK1NTRK3
SCHEMBL1984103 0.84 NTRK1 (0.70) CCNA2CDK2CCNA1NTRK1NTRK3
SCHEMBL3484959 0.84 NTRK1 (0.65) CCNA2CDK2CCNA1NTRK1NTRK3
SCHEMBL11938843 0.83 NTRK1 (0.77) CCNA2CDK2CCNA1NTRK1NTRK3

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 CCNA2 1698/4885CDK2 148/4885CCNA1 1208/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 CCNA2 1698/4885CDK2 148/4885CCNA1 1208/4885

“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.