SCHEMBL3977839

SCHEMBL3977839

COc1ccc(-n2ccc3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ncnc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.54
▸ BRAF P15056 5/20 0.54
▸ RXFP1 Q9HBX9 2/20 0.49
▸ ABL1 P00519 1/20 0.47
▸ BCR P11274 1/20 0.47
▸ KDR P35968 2/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ PLG P00747 1/20 0.47
▸ PLAU P00749 1/20 0.47
▸ PLAT P00750 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ LCK P06239 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 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
SCHEMBL3975710 0.86 BRAF (0.57) BRAFKDRPDGFRB
SCHEMBL3975611 0.79 BRAF (0.51) BRAFKDRPDGFRBMEN1HTT
SCHEMBL4205781 0.78 BRAF (0.55) BRAFRXFP1KDRPDGFRBMAPT
SCHEMBL3974567 0.78 BRAF (0.53) BRAFRXFP1ABL1KDRPDGFRB
SCHEMBL3978261 0.77 BRAF (0.53) BRAFABL1KDRPDGFRB
SCHEMBL4755211 0.76 MAPT (0.62) RXFP1KDRKDM4EMAPTLCK
SCHEMBL3977917 0.74 JAK3 (0.64) BRAFRXFP1KDRPDGFRBMAPT
SCHEMBL4917652 0.74 MAPT (0.62) RXFP1KDRKDM4EMAPTLCK
SCHEMBL4194960 0.73 BRAF (0.70) BRAFKDRPDGFRBMAPTMEN1
SCHEMBL3975361 0.73 BRAF (0.52) BRAFTHRBRAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 — — US disclosed
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 — — 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 ABCG2 570/4885BRAF 1/4885RXFP1 4145/4885

“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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