SCHEMBL3758454

SCHEMBL3758454

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Br)c(Nc2cc3cnn(C)c3cc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.67
▸ INSR P06213 8/20 0.67
▸ IGF1R P08069 7/20 0.67
▸ EGFR P00533 4/20 0.67
▸ BMPR1B O00238 2/20 0.67
▸ PLK4 O00444 2/20 0.67
▸ GAK O14976 2/20 0.67
▸ ERN1 O75460 2/20 0.67
▸ STK10 O94804 2/20 0.67
▸ ABL1 P00519 2/20 0.67
▸ LCK P06239 2/20 0.67
▸ FYN P06241 2/20 0.67
▸ FES P07332 2/20 0.67
▸ YES1 P07947 2/20 0.67
▸ HCK P08631 2/20 0.67
▸ ROS1 P08922 2/20 0.67
▸ FER P16591 2/20 0.67
▸ EPHA2 P29317 2/20 0.67
▸ LTK P29376 2/20 0.67
▸ FLT3 P36888 2/20 0.67

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
SCHEMBL3763429 0.92 ALK (0.60) ALKINSRIGF1REGFRBMPR1B
SCHEMBL3766662 0.89 PLK1 (0.60) ALKINSRIGF1REGFRBMPR1B
SCHEMBL3758981 0.84 ALK (0.56) ALKINSRIGF1REGFRBMPR1B
SCHEMBL3766371 0.83 PLK1 (0.62) ALKINSRIGF1REGFRROS1
SCHEMBL3769118 0.82 ULK1 (0.66) ALKINSRIGF1REGFRCAMKK2
SCHEMBL3756752 0.82 ALK (0.56) ALKIGF1REGFRPLK4LCK
SCHEMBL3756737 0.81 PLK1 (0.61) ALKINSRIGF1REGFRROS1
SCHEMBL13394913 0.81 ALK (0.74) ALKINSRIGF1REGFRBMPR1B
SCHEMBL3766726 0.80 ULK1 (0.65) ALKINSRIGF1REGFRPLK4
Tae-684 SCHEMBL282775 0.80 ALK (1.00) ALKINSRIGF1REGFRBMPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435422-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-12-17 — — EP claimed
US-8486933-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-07-16 — — US claimed
WO-2010138578-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 — — WO claimed
US-20100305112-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 — — US claimed
EP-2435422-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-12-17 — — EP disclosed
US-8486933-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-07-16 — — US disclosed
WO-2010138578-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 — — WO disclosed
US-20100305112-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 — — 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-20100305112-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 ALK 397/4885INSR 6/4885IGF1R 1/4885

“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.

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