SCHEMBL17848247

SCHEMBL17848247

CN1CCN(c2ccc(C(=O)Nc3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c4cc(Br)c(Cc5cc(F)cc(F)c5)cc34)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
INSR P06213 4/20 0.52
ALK Q9UM73 4/20 0.52
AURKA O14965 4/20 0.52
NTRK1 P04629 3/20 0.52
IGF1R P08069 2/20 0.52
AURKB Q96GD4 1/20 0.52
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
KIT P10721 9/20 0.44
FLT3 P36888 8/20 0.44
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41

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
SCHEMBL17848097 0.88 AURKA (0.49) INSRALKAURKANTRK1IGF1R
SCHEMBL20102203 0.83 ALK (0.45) INSRALKAURKANTRK1IGF1R
SCHEMBL17848096 0.82 ALK (0.44) INSRALKAURKANTRK1IGF1R
SCHEMBL589615 0.79 IGF1R (0.48) INSRALKAURKANTRK1IGF1R
SCHEMBL20102209 0.79 ALK (0.48) INSRALKAURKANTRK1IGF1R
SCHEMBL17848113 0.78 ALK (0.40) INSRALKAURKANTRK1IGF1R
SCHEMBL17848119 0.78 ALK (0.47) INSRALKAURKANTRK1IGF1R
SCHEMBL3511630 0.78 ALK (0.66) INSRALKAURKANTRK1IGF1R
SCHEMBL3513579 0.75 ALK (0.53) INSRALKAURKANTRK1IGF1R
SCHEMBL17848267 0.75 INSR (0.57) INSRALKAURKANTRK1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336707-B2 Heterocyclic derivatives modulating activity of certain protein kinases EUDENDRON S.R.L. (IT) 2019-07-02 US disclosed
US-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES UNVERSITA' DEGLI STUDI DI MILANO (IT) 2018-05-03 US disclosed
US-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES UNVERSITA' DEGLI STUDI DI MILANO (IT) 2018-05-03 US disclosed
EP-3233840-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES Eudendron S.r.l. (IT) 2017-10-25 EP disclosed
WO-2016096709-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S.R.L. (IT) 2016-06-23 WO disclosed
WO-2016096709-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S.R.L. (IT) 2016-06-23 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-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES MAP4K2, MAP3K20, MAPKAPK2 INSR 2001/4885ALK 2551/4885AURKA 552/4885
US-10336707-B2 Heterocyclic derivatives modulating activity of certain protein kinases MAP4K2, MAP3K20, MAPKAPK2 INSR 2001/4885ALK 2551/4885AURKA 552/4885

“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.