SCHEMBL1984697

SCHEMBL1984697

CN1CCN(c2ccc(C(=O)Nc3[nH]nc4c3CN(C(=O)Cc3c(F)cccc3F)C4(C)C)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.52
NTRK3 Q16288 4/20 0.52
NTRK2 Q16620 4/20 0.52
AURKA O14965 6/20 0.46
FLT3 P36888 8/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
PLK1 P53350 1/20 0.44
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
ACHE P22303 1/20 0.43
AURKB Q96GD4 2/20 0.43
KIT P10721 2/20 0.43
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
AURKC Q9UQB9 1/20 0.43
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL1983212 0.88 AURKA (0.60) NTRK1NTRK3NTRK2AURKAFLT3
SCHEMBL1983922 0.87 NTRK1 (0.47) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL3485388 0.87 NTRK1 (0.58) NTRK1NTRK3NTRK2AURKAFLT3
SCHEMBL1984971 0.87 NTRK1 (0.52) NTRK1NTRK3NTRK2AURKAFLT3
SCHEMBL3485502 0.84 FLT3 (0.49) NTRK1NTRK3NTRK2AURKAFLT3
SCHEMBL1983315 0.83 NTRK1 (0.49) NTRK1NTRK3NTRK2AURKAFLT3
SCHEMBL3812263 0.82 NTRK1 (0.48) NTRK1NTRK3NTRK2AURKAFLT3
SCHEMBL1985035 0.81 NTRK1 (0.65) NTRK1NTRK3NTRK2AURKACCNA2
SCHEMBL1985453 0.80 FLT3 (0.47) NTRK1NTRK3NTRK2AURKAFLT3
SCHEMBL1983796 0.80 NTRK1 (0.44) NTRK1NTRK3NTRK2AURKAFLT3

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
US-8227472-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-07-24 US claimed
EP-2089394-B1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2011-06-29 EP 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
EP-2089394-B1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2011-06-29 EP 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.