SCHEMBL1641762

SCHEMBL1641762

CN(C(=O)c1c(F)cccc1F)c1cccc(-c2nc(N)sc2-c2ccnc(Nc3cccc(F)c3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.47
▸ CDK2 P24941 4/20 0.47
▸ BRAF P15056 5/20 0.47
▸ ABL1 P00519 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ EGFR P00533 2/20 0.46
▸ CDC7 O00311 1/20 0.44
▸ CDK19 Q9BWU1 1/20 0.44

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
SCHEMBL1640516 0.87 EGFR (0.43) CDK4CDK2BRAFABL1HDAC3
SCHEMBL1640122 0.85 TGFBR1 (0.41) BRAFABL1HDAC3PDGFRBKDR
SCHEMBL12726212 0.85 BRAF (0.58) CDK4CDK2BRAFABL1PDGFRB
SCHEMBL1640512 0.84 EGFR (0.46) BRAFABL1HDAC3PDGFRBKDR
Hydrochloric Acid SCHEMBL1640280 0.83 BRAF (0.42) CDK4CDK2BRAFABL1HDAC3
Trifluoroacetic Acid SCHEMBL1640519 0.82 BRAF (0.60) BRAFABL1HDAC3PDGFRBKDR
SCHEMBL1641187 0.81 ABL1 (0.43) CDK4CDK2BRAFABL1HDAC3
SCHEMBL5781152 0.80 CDK4 (0.59) CDK4CDK2ABL1EGFRCCNE1
SCHEMBL1640538 0.79 KDR (0.45) BRAFABL1HDAC3PDGFRBKDR
SCHEMBL1640350 0.78 EGFR (0.47) BRAFABL1HDAC3PDGFRBKDR

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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 — — 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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 CDK4 40/4885CDK2 34/4885BRAF 151/4885

“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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