SCHEMBL1985484

SCHEMBL1985484

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)cc2N(CCOC)C(=O)C(F)(F)F)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.34
INSR P06213 4/20 0.34
AURKA O14965 1/20 0.33
IGF1R P08069 1/20 0.33
AURKB Q96GD4 1/20 0.33
NTRK1 P04629 3/20 0.32
NTRK3 Q16288 3/20 0.32
PLK4 O00444 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKCG P05129 1/20 0.32
ROS1 P08922 1/20 0.32
FER P16591 1/20 0.32
LTK P29376 1/20 0.32
WEE1 P30291 1/20 0.32
FRK P42685 1/20 0.32
MAPK8 P45983 1/20 0.32
MST1R Q04912 1/20 0.32
PTK2 Q05397 1/20 0.32
TNK2 Q07912 1/20 0.32
DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL3485255 0.90 ALK (0.37) ALKINSRAURKAIGF1RAURKB
SCHEMBL1987005 0.88 SRC (0.33) ALKINSRAURKAIGF1RAURKB
SCHEMBL1987008 0.87 INSR (0.33) ALKINSRAURKAIGF1RAURKB
SCHEMBL1984180 0.87 ALK (0.37) ALKINSRAURKAIGF1RAURKB
Hydrochloric Acid SCHEMBL1984175 0.86 ALK (0.36) ALKINSRAURKAIGF1RAURKB
SCHEMBL1987097 0.81 SIRT6 (0.39) WDR5
SCHEMBL3817856 0.79 SRC (0.32) ALKINSRAURKAAURKBNTRK1
SCHEMBL1987647 0.78 INSR (0.35) ALKINSRAURKAIGF1RAURKB
SCHEMBL1987643 0.78 INSR (0.35) ALKINSRAURKAIGF1RAURKB
SCHEMBL3813188 0.78 ALK (0.36) ALKINSRAURKAIGF1RAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALK 439/4885INSR 1027/4885AURKA 414/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 ALK 439/4885INSR 1027/4885AURKA 414/4885

“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.