SCHEMBL23459750

SCHEMBL23459750

CCCn1cc(NCC(F)(F)F)c(C(=O)OCC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 0.38
▸ ADORA2A P29274 6/20 0.38
▸ ADORA1 P30542 5/20 0.38
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ ELANE P08246 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL23459736 0.84 L3MBTL1 (0.40) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL23459732 0.74 ADORA3 (0.49) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL23456881 0.71 MAPT (0.42) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL2087062 0.71 KDM4E (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL16505366 0.70 NFKB1 (0.44) NPC1ALDH1A1MAPTKDM4EMEN1
SCHEMBL7511754 0.68 POLB (0.44) ADORA3ADORA2AADORA1ELANELMNA
SCHEMBL3673593 0.68 NPC1 (0.45) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL3159391 0.67 ADORA2A (0.50) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL23456901 0.67 NPC1 (0.42) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL27085786 0.66 TEAD2 (0.43) ADORA3ADORA2AADORA1LMNAALDH1A1

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-20210163448-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF AXL/MER RTK AND CSF1R QURIENT CO., LTD. (KR) 2021-06-03 — — 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-20210163448-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF AXL/MER RTK AND CSF1R CSF1R, CSF3R, FLT3 ADORA3 1141/4885ADORA2A 1181/4885ADORA1 890/4885

“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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