SCHEMBL21733362

SCHEMBL21733362

CNc1cc(C)c(C(F)(F)F)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 1/20 0.36
SORT1 Q99523 3/20 0.33
NUDT1 P36639 4/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NNMT P40261 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX15 P16050 1/20 0.31
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30
IDH2 P48735 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL24855244 0.80 NOS3 (0.36) NOS3NOS2KDM4ENUDT1
SCHEMBL22062847 0.80 NOS3 (0.36) NOS3NOS2KDM4ENUDT1
SCHEMBL24854516 0.79 NOS3 (0.35) NOS3NOS2KDM4ECYP3A4CYP2C19
SCHEMBL24784943 0.76 NOS3 (0.33) NOS3NOS2KDM4ENUDT1
SCHEMBL13024473 0.73 NOS3 (0.46) NOS3NOS2NUDT1ALDH1A1GAA
SCHEMBL25411344 0.72 HTT (0.33) TSHR
SCHEMBL21733973 0.72 NOS2 (0.40) NOS3NOS2KDM4EALDH1A1HPGD
SCHEMBL15951409 0.69 NOS3 (0.43) NOS3NOS2KDM4ENUDT1ALDH1A1
SCHEMBL31214249 0.68 AR (0.35) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL24785035 0.67 PTPN1 (0.36) NOS3NOS2NUDT1IDH2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
EP-4389751-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kumquat Biosciences Inc. (US) 2024-06-26 EP disclosed
WO-2023215802-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
WO-2023215801-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
WO-2022266015-A1 FUSED HETEROARYL COMPOUNDS USEFUL AS ANTICANCER AGENTS KUMQUAT BIOSCIENCES INC. (US) 2022-12-22 WO disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO 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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS NOS3 4050/4885NOS2 4392/4885KDM4E 3543/4885

“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.