SCHEMBL1703631

SCHEMBL1703631

Cn1cc(Nc2ncc(Cl)c(N[C@@H]3CCC[C@@H]3C(N)=O)n2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 10/20 1.00
KDR P35968 7/20 1.00
INSR P06213 2/20 0.61
ALK Q9UM73 2/20 0.61
JAK2 O60674 7/20 0.58
JAK1 P23458 8/20 0.58
AURKA O14965 6/20 0.58
CDC7 O00311 1/20 0.56
DAPK3 O43293 1/20 0.56
ROCK2 O75116 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
PAK4 O96013 1/20 0.56
PIM1 P11309 1/20 0.56
PRKACA P17612 1/20 0.56
CDK2 P24941 1/20 0.56
SYK P43405 1/20 0.56
CSNK1A1 P48729 1/20 0.56
CLK2 P49760 1/20 0.56
GSK3A P49840 1/20 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
SCHEMBL3773560 1.00 AURKB (1.00) AURKBKDRINSRALKJAK2
SCHEMBL1703907 0.98 AURKB (1.00) AURKBKDRINSRALKJAK2
SCHEMBL3778135 0.98 AURKB (1.00) AURKBKDRINSRALKJAK2
SCHEMBL3772761 0.94 AURKB (1.00) AURKBKDRJAK2JAK1AURKA
SCHEMBL1703376 0.94 AURKB (1.00) AURKBKDRJAK2JAK1AURKA
SCHEMBL3767320 0.91 AURKB (0.83) AURKBKDRINSRALKJAK2
SCHEMBL3778501 0.88 KDR (0.79) AURKBKDRJAK2JAK1AURKA
SCHEMBL3783510 0.88 KDR (0.79) AURKBKDRJAK2JAK1AURKA
SCHEMBL3769576 0.88 AURKB (0.78) AURKBKDRJAK2JAK1AURKA
SCHEMBL3772297 0.88 AURKB (0.78) AURKBKDRJAK2JAK1AURKA

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-8426408-B2 Pyrimidine inhibitors of kinases ABBVIE INC. (US) 2013-04-23 US claimed
US-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2010-12-16 US claimed
US-8426408-B2 Pyrimidine inhibitors of kinases ABBVIE INC. (US) 2013-04-23 US disclosed
EP-2440548-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS Abbott Laboratories (US) 2012-04-18 EP disclosed
US-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2010-12-16 US disclosed
WO-2010144468-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-12-16 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 (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-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB AURKB 3/4885KDR 38/4885INSR 2263/4885

“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.