SCHEMBL13644150

SCHEMBL13644150

C=C(C#N)c1ccc(-c2nc(Nc3ccc(CN4CCN(C)CC4)cc3)ncc2C)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 10/20 0.73
▸ CDK1 P06493 3/20 0.51
▸ KDR P35968 3/20 0.51
▸ JAK2 O60674 5/20 0.49
▸ JAK3 P52333 2/20 0.49
▸ JAK1 P23458 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ IGF1R P08069 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ ALK Q9UM73 1/20 0.46

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
SCHEMBL27387131 0.85 AXL (0.70) AXLCDK1KDRJAK2JAK3
SCHEMBL12813273 0.85 AXL (1.00) AXLCDK1KDRJAK2JAK3
SCHEMBL12813489 0.83 AXL (0.77) AXLCDK1KDRJAK2
SCHEMBL12964726 0.82 AXL (0.70) AXLCDK1KDRJAK2JAK3
SCHEMBL12964739 0.81 AXL (0.80) AXLCDK1KDR
SCHEMBL12813376 0.77 AXL (1.00) AXLCDK1KDR
SCHEMBL12964729 0.77 AXL (1.00) AXL
SCHEMBL21317668 0.76 AXL (0.81) AXLCDK1KDRJAK2JAK3
SCHEMBL25549984 0.76 AXL (0.66) AXLCDK1KDR
SCHEMBL12964813 0.75 AXL (0.73) AXLCDK1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283261-A1 SUBSTITUTED N-PHENYLPYRIMIDIN-2-AMINE ANALOGS AS INHIBITORS OF THE AXL KINASE SUMITOMO PHARMA ONCOLOGY, INC. 2012-11-08 — — 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-20120283261-A1 SUBSTITUTED N-PHENYLPYRIMIDIN-2-AMINE ANALOGS AS INHIBITORS OF THE AXL KINASE AXL, TYRO3, MERTK AXL 1/4885CDK1 248/4885KDR 189/4885

“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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