SCHEMBL6004982

SCHEMBL6004982

Cc1[c]c(-c2ccc(F)cc2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.40
KEAP1 Q14145 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
NOTUM Q6P988 1/20 0.37
HSD17B10 Q99714 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPT P10636 2/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL2766578 0.84 MEN1 (0.40) MEN1KMT2AALDH1A1HPGDNOTUM
SCHEMBL458020 0.80 KDM4E (0.43) KDM4ENOTUMNPC1RAB9A
SCHEMBL455592 0.80 AKT2 (0.42) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL6004541 0.65 PTGS2 (0.39) KMT2ANPC1RAB9ASMN1; SMN2ACHE
SCHEMBL3488188 0.64 MAPK14 (0.41) AXLKEAP1KDM4ETSHRMEN1
SCHEMBL2124921 0.64 NOTUM (0.39) AXLKEAP1ALDH1A1HPGDNOTUM
SCHEMBL25210468 0.63 ALDH1A1 (0.47) AXLKEAP1KDM4ETSHRMEN1
SCHEMBL1040640 0.63 HDAC3 (0.56) AXLKEAP1KDM4ETSHRMEN1
SCHEMBL2360295 0.63 NPC1 (0.67) AXLKEAP1MEN1KMT2AMAPT
SCHEMBL3488442 0.63 AXL (0.62) AXLKEAP1KDM4EMEN1KMT2A

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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 AXL 734/4885KEAP1 2324/4885KDM4E 3178/4885

“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.