SCHEMBL5038620

SCHEMBL5038620

C=Cc1cccc(NC(=O)c2ccccc2C(=O)c2ccc3nc[nH]c3c2)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 6/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ ATM Q13315 1/20 0.50
▸ RAB9A P51151 5/20 0.48
▸ HTT P42858 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ CASP6 P55212 2/20 0.46
▸ CTDSP1 Q9GZU7 2/20 0.46
▸ CTNNB1 P35222 1/20 0.46
▸ WNT3A P56704 1/20 0.46
▸ F2 P00734 2/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NPC1 O15118 4/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3857514 0.84 RAF1 (0.38) POLBKMT2AATMRAB9AHTT
SCHEMBL2301431 0.81 RAF1 (0.54) POLBKMT2ARAB9AHTTSMN1; SMN2
SCHEMBL1469056 0.79 RAF1 (0.45) POLBKMT2ARAB9AHTTSMN1; SMN2
SCHEMBL2299028 0.70 RAF1 (0.57) POLBKMT2ARAB9AHTTSMN1; SMN2
SCHEMBL4473204 0.70 NPC1 (0.41) KMT2ARAB9AALDH1A1HPGDNPC1
SCHEMBL1466545 0.68 RAF1 (0.47) POLBKMT2ARAB9AHTTSMN1; SMN2
SCHEMBL2296483 0.68 RAF1 (0.56) KMT2ARAB9AHTTKDM4EALDH1A1
SCHEMBL2357595 0.68 RAF1 (0.56) KMT2ARAB9AHTTKDM4EALDH1A1
SCHEMBL3856725 0.68 RAF1 (0.37) POLBKMT2AATMRAB9ANPC1
SCHEMBL29406130 0.67 RAB9A (1.00) POLBKMT2ARAB9AHTTSMN1; SMN2

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-20080009488-A1 Raf Modulators and Methods of Use EXELIXIS, INC. (US) 2008-01-10 — — US claimed

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-20080009488-A1 Raf Modulators and Methods of Use BRAF, RAF1, ARAF POLB 2852/4885KMT2A 2385/4885ATM 1514/4885

“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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