SCHEMBL3076523

SCHEMBL3076523

Oc1[c]ccc(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.40
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.35
KIF11 P52732 1/20 0.35
AURKA O14965 1/20 0.35
TPX2 Q9ULW0 1/20 0.35
PIM1 P11309 1/20 0.35
CES1 P23141 1/20 0.34
NOTUM Q6P988 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL7771466 0.80 KIF11 (0.35) KIF11
SCHEMBL622940 0.78 GPR3 (0.41) GPR3MAPTEPHX2KIF11PIM1
SCHEMBL407346 0.78 GPR3 (0.41) GPR3MAPTEPHX2KIF11PIM1
SCHEMBL1066922 0.76 GPR3 (0.40) GPR3MAPTEPHX2KIF11PIM1
SCHEMBL538958 0.76 GPR3 (0.41) GPR3MAPTKIF11PIM1CES1
SCHEMBL27035492 0.76 GPR3 (0.40) GPR3KIF11PIM1CES1NPC1
SCHEMBL457747 0.76 GPR3 (0.40) GPR3MAPTEPHX2KIF11PIM1
SCHEMBL28741677 0.76 ALOX15 (0.38) MAPTLMNAPKMALOX15RAB9A
SCHEMBL407097 0.76 GPR3 (0.40) GPR3MAPTKIF11CES1NOTUM
SCHEMBL28035616 0.76 GPR3 (0.37) GPR3MAPTEPHX2KIF11PIM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109219602-A Modulators of cystic fibrosis transmembrane conductance regulator proteins 艾伯维公司 2019-01-15 CN disclosed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 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-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P GPR3 2437/4885MAPT 1744/4885EPHX2 4665/4885

“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.