SCHEMBL24854516

SCHEMBL24854516

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 1/20 0.33
CRHR2 Q13324 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
SCHEMBL21733362 0.79 NOS3 (0.39) NOS3NOS2KDM4ECYP3A4TSHR
SCHEMBL22681209 0.79 HSP90AA1 (0.36) KDM4ECYP3A4CYP2D6TSHRCRHBP
SCHEMBL27060353 0.77 PDE2A (0.33) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL21733375 0.76 NOS2 (0.39) NOS3NOS2CYP3A4CYP2D6TSHR
SCHEMBL22062847 0.75 NOS3 (0.36) NOS3NOS2KDM4E
SCHEMBL24855244 0.75 NOS3 (0.36) NOS3NOS2KDM4E
SCHEMBL22062851 0.69 CYP1A2 (0.42) KDM4ECYP3A4CYP2D6TSHRCRHBP
SCHEMBL20288205 0.68 PSMD14 (0.34) NOS3NOS2
SCHEMBL12736479 0.66 NOS3 (0.41) NOS3NOS2
SCHEMBL22016865 0.65 SORT1 (0.33) CYP3A4CYP2D6TSHRCRHBPCYP2C19

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 4 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
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 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 (4 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS NOS3 3179/4885NOS2 2819/4885KDM4E 3744/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS NOS3 4050/4885NOS2 4392/4885KDM4E 3543/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS NOS3 3179/4885NOS2 2819/4885KDM4E 3744/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS NOS3 4762/4885NOS2 4765/4885KDM4E 3651/4885

“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.