SCHEMBL3769145

SCHEMBL3769145

CCN1CCN(c2ccc(Nc3ncc(Br)c(Nc4ccc5[nH]c(C(F)(F)F)nc5c4)n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 5/20 0.62
▸ ALK Q9UM73 5/20 0.62
▸ EGFR P00533 13/20 0.57
▸ FGFR1 P11362 3/20 0.56
▸ PDGFRA P16234 3/20 0.56
▸ AURKA O14965 2/20 0.56
▸ DAPK3 O43293 2/20 0.56
▸ JAK2 O60674 2/20 0.56
▸ PRKD3 O94806 2/20 0.56
▸ MAP4K4 O95819 2/20 0.56
▸ PAK4 O96013 2/20 0.56
▸ LCK P06239 2/20 0.56
▸ FYN P06241 2/20 0.56
▸ CSF1R P07333 2/20 0.56
▸ RET P07949 2/20 0.56
▸ IGF1R P08069 2/20 0.56
▸ PRKACA P17612 2/20 0.56
▸ FLT1 P17948 2/20 0.56
▸ LTK P29376 2/20 0.56
▸ KDR P35968 2/20 0.56

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
SCHEMBL3771267 0.83 EGFR (0.54) WEE1ALKEGFRFGFR1PDGFRA
SCHEMBL3759654 0.82 EGFR (0.83) WEE1ALKEGFRFGFR1PDGFRA
SCHEMBL3800808 0.74 EGFR (0.53) WEE1ALKEGFRFGFR1PDGFRA
SCHEMBL16289347 0.74 WEE1 (0.37) WEE1ALKFGFR1PDGFRAAURKA
SCHEMBL4119705 0.73 MEN1 (0.45) EGFRIGF1R
SCHEMBL3759585 0.73 CDK9 (0.58) WEE1ALKEGFRFGFR1PDGFRA
SCHEMBL3798245 0.73 EGFR (0.53) WEE1ALKEGFRFGFR1PDGFRA
SCHEMBL3767432 0.72 ALK (1.00) WEE1ALKEGFRFGFR1PDGFRA
SCHEMBL30138100 0.71 EGFR (0.81) WEE1ALKEGFRFGFR1PDGFRA
SCHEMBL13048776 0.70 PDGFRB (0.44) WEE1ALKEGFRPDGFRAJAK2

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 10 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
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2016-03-10 — — US disclosed
EP-2435422-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-12-17 — — EP disclosed
WO-2014179528-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2014-11-06 — — WO 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 (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-20100305112-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 WEE1 195/4885ALK 397/4885EGFR 120/4885
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS MYC, NME2, TP53 WEE1 629/4885ALK 11/4885EGFR 560/4885

“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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