SCHEMBL3714778

SCHEMBL3714778

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Br)c(Nc2ccc3ccc(-c4ccccc4)nc3c2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.66
▸ INSR P06213 13/20 0.66
▸ IGF1R P08069 13/20 0.66
▸ PDGFRB P09619 1/20 0.60
▸ PDGFRA P16234 1/20 0.60
▸ EGFR P00533 4/20 0.55
▸ PLK1 P53350 2/20 0.55
▸ CHEK1 O14757 1/20 0.55
▸ AURKA O14965 1/20 0.55
▸ NUAK1 O60285 1/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ STK10 O94804 1/20 0.55
▸ PRKD3 O94806 1/20 0.55
▸ SLC34A2 O95436 1/20 0.55
▸ CHEK2 O96017 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ CD74 P04233 1/20 0.55
▸ ERBB2 P04626 1/20 0.55
▸ LCK P06239 1/20 0.55
▸ FYN P06241 1/20 0.55

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
SCHEMBL3717853 0.95 ALK (0.65) ALKINSRIGF1RPDGFRBPDGFRA
SCHEMBL3716547 0.89 ALK (0.65) ALKINSRIGF1RPDGFRBPDGFRA
SCHEMBL26089299 0.88 ALK (0.83) ALKINSRIGF1RPDGFRBPDGFRA
SCHEMBL3715939 0.84 EGFR (0.67) ALKINSRIGF1RPDGFRBPDGFRA
SCHEMBL3764374 0.81 PDGFRB (0.75) ALKINSRIGF1RPDGFRBPDGFRA
SCHEMBL26089861 0.80 ALK (1.00) ALKINSRIGF1RPDGFRBPDGFRA
SCHEMBL30378164 0.77 INSR (0.79) ALKINSRIGF1REGFRPLK1
SCHEMBL30377906 0.76 ALK (0.86) ALKINSRIGF1RPDGFRBPDGFRA
SCHEMBL26087740 0.76 ALK (0.86) ALKINSRIGF1RPDGFRBPDGFRA
SCHEMBL15217790 0.76 INSR (1.00) ALKINSRIGF1RPDGFRBPDGFRA

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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