SCHEMBL3484959

SCHEMBL3484959

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3ccc(F)c(F)c3)C4(C)C)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.65
NTRK3 Q16288 5/20 0.65
NTRK2 Q16620 5/20 0.65
CCNA2 P20248 10/20 0.61
CDK2 P24941 10/20 0.61
CCNA1 P78396 10/20 0.61
AURKA O14965 3/20 0.54
INSR P06213 1/20 0.52
IGF1R P08069 1/20 0.52
AURKB Q96GD4 1/20 0.52
ALK Q9UM73 1/20 0.52

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
SCHEMBL3485984 0.91 CCNA2 (0.69) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL11938843 0.91 NTRK1 (0.77) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL3485283 0.90 NTRK1 (0.69) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL3485445 0.88 NTRK1 (0.60) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL3485545 0.88 NTRK1 (0.65) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL3484824 0.88 NTRK1 (0.66) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL3485039 0.88 NTRK1 (0.62) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL3484962 0.87 NTRK1 (0.60) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL3485846 0.87 NTRK1 (0.65) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL1984103 0.87 NTRK1 (0.70) NTRK1NTRK3NTRK2CCNA2CDK2

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 NTRK1 1290/4885NTRK3 1078/4885NTRK2 2021/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 NTRK1 1290/4885NTRK3 1078/4885NTRK2 2021/4885

“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.