SCHEMBL1703450

SCHEMBL1703450

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

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.75
AURKB Q96GD4 11/20 0.75
LRRK2 Q5S007 1/20 0.59
PTK2 Q05397 6/20 0.52
PTK2B Q14289 3/20 0.51
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
JAK3 P52333 1/20 0.51
SYK P43405 1/20 0.51
KCNH2 Q12809 1/20 0.50

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
SCHEMBL3771697 1.00 KDR (0.75) KDRAURKBLRRK2PTK2PTK2B
SCHEMBL3783510 0.88 KDR (0.79) KDRAURKBJAK2JAK1JAK3
SCHEMBL3778501 0.88 KDR (0.79) KDRAURKBJAK2JAK1JAK3
SCHEMBL3767811 0.87 KDR (0.69) KDRAURKBLRRK2JAK2JAK1
SCHEMBL1702994 0.87 KDR (0.69) KDRAURKBLRRK2JAK2JAK1
SCHEMBL3773560 0.86 AURKB (1.00) KDRAURKBJAK2JAK1JAK3
SCHEMBL1703631 0.86 AURKB (1.00) KDRAURKBJAK2JAK1JAK3
SCHEMBL3778135 0.84 AURKB (1.00) KDRAURKBJAK2JAK1JAK3
SCHEMBL1703907 0.84 AURKB (1.00) KDRAURKBJAK2JAK1JAK3
SCHEMBL5577046 0.82 PTK2 (0.57) KDRAURKBPTK2PTK2BJAK3

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
US-8426408-B2 Pyrimidine inhibitors of kinases ABBVIE INC. (US) 2013-04-23 US claimed
EP-2440548-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS Abbott Laboratories (US) 2012-04-18 EP claimed
US-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2010-12-16 US claimed
WO-2010144468-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-12-16 WO 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 KDR 38/4885AURKB 3/4885LRRK2 1841/4885

“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.