SCHEMBL589986

SCHEMBL589986

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(S(=O)(=O)c5ccccc5)cc34)c(NC(=O)c3cc[nH]c3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.53
INSR P06213 16/20 0.53
IGF1R P08069 10/20 0.52
KIT P10721 2/20 0.48
FLT3 P36888 1/20 0.48
AURKA O14965 3/20 0.47
AURKB Q96GD4 3/20 0.47
NTRK1 P04629 3/20 0.46
PLK4 O00444 1/20 0.46
DAPK3 O43293 1/20 0.46
PRKCG P05129 1/20 0.46
ROS1 P08922 1/20 0.46
FER P16591 1/20 0.46
LTK P29376 1/20 0.46
WEE1 P30291 1/20 0.46
FRK P42685 1/20 0.46
MAPK8 P45983 1/20 0.46
MST1R Q04912 1/20 0.46
PTK2 Q05397 1/20 0.46
TNK2 Q07912 1/20 0.46

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
SCHEMBL589354 0.93 ALK (0.56) ALKINSRIGF1RKITFLT3
SCHEMBL589685 0.93 ALK (0.54) ALKINSRIGF1RKITFLT3
SCHEMBL590850 0.91 ALK (0.56) ALKINSRIGF1RKITFLT3
SCHEMBL15859531 0.88 ALK (0.51) ALKINSRIGF1RKITFLT3
SCHEMBL589313 0.88 IGF1R (0.58) ALKINSRIGF1RKITFLT3
SCHEMBL591974 0.87 ALK (0.58) ALKINSRIGF1RKITFLT3
SCHEMBL590062 0.87 ALK (0.54) ALKINSRIGF1RKITFLT3
SCHEMBL591714 0.87 ALK (0.53) ALKINSRIGF1RKITFLT3
SCHEMBL590043 0.87 ALK (0.62) ALKINSRIGF1RKITFLT3
SCHEMBL590083 0.86 ALK (0.55) ALKINSRIGF1RKITFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114865-B2 Indazole derivatives as kinase inhibitors for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-14 US claimed
EP-2120932-B1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2014-07-09 EP disclosed
US-8114865-B2 Indazole derivatives as kinase inhibitors for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-14 US disclosed
US-8114865-B2 Indazole derivatives as kinase inhibitors for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-14 US disclosed
US-8114865-B2 Indazole derivatives as kinase inhibitors for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-14 US disclosed
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-08-05 US disclosed
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-08-05 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 (1 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-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER MAP3K5, MAP3K19, MAP3K3 ALK 420/4885INSR 400/4885IGF1R 117/4885

“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.