SCHEMBL29580802

SCHEMBL29580802

O=C(Cc1ccc(-c2ccc(C(=O)O)cc2)nc1)NCc1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.63
RAB9A P51151 5/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
WNT3A P56704 4/20 0.49
TRPC5 Q9UL62 1/20 0.49
TP53 P04637 1/20 0.48
MMP13 P45452 2/20 0.48
MAPK1 P28482 1/20 0.47
HPGDS O60760 1/20 0.47
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PPARA Q07869 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NR4A2 P43354 1/20 0.46
PTGER4 P35408 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
SCHEMBL255175 1.00 SRC (0.63) SRCRAB9ANPC1SMN1; SMN2WNT3A
SCHEMBL254165 0.91 SRC (0.72) SRCRAB9AWNT3ATRPC5MAPK1
SCHEMBL254295 0.91 SRC (0.65) SRCRAB9AWNT3ATRPC5MAPK1
SCHEMBL29580134 0.88 SRC (0.61) SRCRAB9ANPC1SMN1; SMN2WNT3A
SCHEMBL254478 0.88 SRC (0.61) SRCRAB9ANPC1SMN1; SMN2WNT3A
SCHEMBL254590 0.88 SRC (0.66) SRCRAB9AWNT3ATRPC5MAPK1
SCHEMBL12782356 0.87 NPC1 (0.53) SRCRAB9ANPC1SMN1; SMN2WNT3A
SCHEMBL20705375 0.86 SRC (0.58) SRCRAB9AWNT3ATRPC5MAPK1
SCHEMBL255177 0.85 SRC (0.56) SRCRAB9AWNT3ATRPC5TP53
SCHEMBL254607 0.85 SRC (0.56) SRCRAB9AWNT3ATRPC5TP53

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-20240050438-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE ATHENEX, INC. 2024-02-15 US disclosed
US-20220119347-A1 BIARYL COMPOSITIONS IN COMBINATION WITH TAMOXIFEN AND METHODS FOR MODULATING A KINASE CASCADE SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2022-04-21 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 (2 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-20220119347-A1 BIARYL COMPOSITIONS IN COMBINATION WITH TAMOXIFEN AND METHODS FOR MODULATING A KINASE CASCADE MAP3K2, MAP3K6, MAP3K8 SRC 116/4885RAB9A 3249/4885NPC1 3031/4885
US-20240050438-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 SRC 76/4885RAB9A 2334/4885NPC1 2695/4885

“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.