SCHEMBL23055282

SCHEMBL23055282

CNc1ccc(C(C)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.39
CYP2C9 P11712 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
SLC22A11 Q9NSA0 1/20 0.39
KIF11 P52732 1/20 0.38
TRPV4 Q9HBA0 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
RRM2 P31350 1/20 0.34
EGFR P00533 2/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
EPHX2 P34913 1/20 0.33
CA4 P22748 2/20 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
Hydrochloric Acid SCHEMBL29162116 0.98 SLC22A12 (0.38) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL8171100 0.86 TRPV4 (0.52) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
Hydrochloric Acid SCHEMBL29162081 0.84 TRPV4 (0.50) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL14283237 0.83 CA12 (0.38) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL25894839 0.82 KIF11 (0.37) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL21016949 0.80 TGFBR1 (0.40) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL22601556 0.80 CA12 (0.35) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL18536507 0.77 MAPT (0.35) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL22001498 0.76 CHRNA7 (0.43) CYP2C9CA12CA1CA2RRM2
SCHEMBL30074800 0.73 TRPV4 (0.47) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11

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-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US disclosed
WO-2021039961-A1 RING-FUSED PYRAZOLE DERIVATIVE 大日本住友製薬株式会社 2021-03-04 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-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CYCS, CYP2E1, AHR SLC22A12 3805/4885CYP2C9 24/4885SLC22A6 3403/4885

“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.