SCHEMBL1703580

SCHEMBL1703580

Cn1cc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3C3(O)CCC3)n2)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.66
▸ AURKB Q96GD4 6/20 0.66
▸ LRRK2 Q5S007 1/20 0.59
▸ FLT4 P35916 2/20 0.52
▸ ALK Q9UM73 6/20 0.48
▸ CDK19 Q9BWU1 4/20 0.48
▸ JAK3 P52333 4/20 0.47
▸ CDC7 O00311 3/20 0.47
▸ ROCK2 O75116 3/20 0.47
▸ MAP4K4 O95819 3/20 0.47
▸ PIM1 P11309 3/20 0.47
▸ PRKACA P17612 3/20 0.47
▸ CDK7 P50613 3/20 0.47
▸ CDK9 P50750 3/20 0.47
▸ JAK2 O60674 3/20 0.47
▸ DAPK3 O43293 2/20 0.47
▸ PRKD3 O94806 2/20 0.47
▸ PAK4 O96013 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ SYK P43405 2/20 0.47

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
SCHEMBL1703043 0.90 KDR (0.65) KDRAURKBLRRK2FLT4ALK
SCHEMBL1703336 0.86 ALK (0.67) KDRAURKBALKCDK19JAK3
SCHEMBL1703311 0.86 JAK2 (0.64) KDRAURKBFLT4ALKCDK19
SCHEMBL1703985 0.78 CDK9 (0.61) KDRFLT4ALKCDK19JAK3
SCHEMBL29706095 0.76 KDR (0.93) KDRAURKBLRRK2FLT4ALK
SCHEMBL4560975 0.75 LRRK2 (1.00) KDRAURKBLRRK2JAK3JAK2
SCHEMBL14663564 0.75 LRRK2 (0.65) KDRAURKBLRRK2FLT4ALK
SCHEMBL24393106 0.73 LRRK2 (0.63) KDRAURKBLRRK2ALKCDK19
SCHEMBL29537273 0.73 LRRK2 (0.63) KDRAURKBLRRK2ALKCDK19
SCHEMBL14663754 0.72 LRRK2 (0.62) KDRAURKBLRRK2FLT4ALK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.

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