SCHEMBL20259741

SCHEMBL20259741

C[C@H](CCC(C)(C)c1cccc2[nH]ncc12)c1n[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 2/20 0.46
▸ IDO1 P14902 2/20 0.38
▸ METAP2 P50579 2/20 0.37
▸ NOS1 P29475 4/20 0.36
▸ TRPV1 Q8NER1 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ DHPS P49366 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MET P08581 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL20182527 0.80 AXL (0.50) AXLIDO1METAP2NOS1TRPA1
SCHEMBL19308820 0.74 KDM4E (0.43) IDO1KDM4EPDPK1CYP3A4GAA
SCHEMBL10285272 0.72 AXL (0.62) AXLIDO1METAP2NOS1TRPV1
SCHEMBL13948936 0.71 KDM4E (0.46) IDO1KDM4EPDPK1CYP3A4GAA
SCHEMBL19308854 0.71 KDM4E (0.46) IDO1KDM4EPDPK1CYP3A4GAA
SCHEMBL2627058 0.70 AXL (0.68) AXLIDO1METAP2NOS1TRPV1
SCHEMBL9229130 0.70 KDM4E (0.39) IDO1KDM4EPDPK1CYP3A4GAA
SCHEMBL347644 0.67 KDM4E (0.52) IDO1KDM4EPDPK1CYP3A4GAA
SCHEMBL12683720 0.64 AXL (1.00) AXLIDO1METAP2NOS1TRPV1
SCHEMBL30446607 0.64 KDM4E (0.53) IDO1KDM4EPDPK1CYP3A4GAA

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-10807948-B2 Aromatic compounds and uses thereof PELOTON THERAPEUTICS, INC. (US) 2020-10-20 — — US disclosed
US-20180162807-A1 AROMATIC COMPOUNDS AND USES THEREOF PELOTON THERAPEUTICS, INC. 2018-06-14 — — 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-10807948-B2 Aromatic compounds and uses thereof VHL, HIF1AN, HIF1A AXL 1416/4885IDO1 257/4885METAP2 2657/4885
US-20180162807-A1 AROMATIC COMPOUNDS AND USES THEREOF HIF1A, HIF1AN, VHL AXL 1381/4885IDO1 1609/4885METAP2 3037/4885

“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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