SCHEMBL3714937

SCHEMBL3714937

CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5[nH]ncc5c4)n3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 10/20 1.00
▸ WEE1 P30291 7/20 1.00
▸ ALK Q9UM73 7/20 1.00
▸ FGFR1 P11362 4/20 1.00
▸ AURKA O14965 3/20 1.00
▸ DAPK3 O43293 3/20 1.00
▸ JAK2 O60674 3/20 1.00
▸ PRKD3 O94806 3/20 1.00
▸ MAP4K4 O95819 3/20 1.00
▸ PAK4 O96013 3/20 1.00
▸ LCK P06239 3/20 1.00
▸ FYN P06241 3/20 1.00
▸ CSF1R P07333 3/20 1.00
▸ RET P07949 3/20 1.00
▸ IGF1R P08069 3/20 1.00
▸ PRKACA P17612 3/20 1.00
▸ FLT1 P17948 3/20 1.00
▸ LTK P29376 3/20 1.00
▸ KDR P35968 3/20 1.00
▸ MAP2K2 P36507 3/20 1.00

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
SCHEMBL3767432 0.87 ALK (1.00) PDGFRAWEE1ALKFGFR1AURKA
SCHEMBL3759654 0.86 EGFR (0.83) PDGFRAWEE1ALKFGFR1AURKA
SCHEMBL26395523 0.80 PDGFRA (1.00) PDGFRAWEE1ALKFGFR1AURKA
SCHEMBL21596401 0.79 WEE1 (0.65) PDGFRAWEE1ALKFGFR1AURKA
SCHEMBL24625516 0.78 WEE1 (0.82) PDGFRAWEE1ALKFGFR1AURKA
SCHEMBL30138100 0.78 EGFR (0.81) PDGFRAWEE1ALKFGFR1AURKA
SCHEMBL21596340 0.74 FLT3 (0.77) PDGFRAWEE1ALKFGFR1AURKA
SCHEMBL21599134 0.74 ALK (0.59) PDGFRAWEE1ALKFGFR1AURKA
SCHEMBL3771292 0.73 WEE1 (0.64) PDGFRAWEE1ALKFGFR1AURKA
SCHEMBL28525616 0.73 WEE1 (0.57) PDGFRAWEE1ALKFGFR1AURKA

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 PDGFRA 210/4885WEE1 195/4885ALK 397/4885

“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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