SCHEMBL26014241

SCHEMBL26014241

CC(C)(C)c1n[nH]c2cc(F)cnc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.41
TRPA1 O75762 7/20 0.37
DYRK1A Q13627 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ1 P51787 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL16680836 0.73 DYRK1A (0.62) GRM4TRPA1DYRK1AKDM4ERAB9A
SCHEMBL25468794 0.72 GRM4 (0.39) GRM4TRPA1DYRK1AKDM4ERAB9A
SCHEMBL20901588 0.72 GRM4 (0.50) GRM4TRPA1KCNQ3KCNQ2KCNQ1
SCHEMBL24198036 0.72 GRM4 (0.34) GRM4
SCHEMBL15935281 0.71 GRM4 (0.37) GRM4
SCHEMBL10219959 0.70 MAP2K4 (0.51)
SCHEMBL29324202 0.70 SGK1 (0.33) GRM4
SCHEMBL26424498 0.70 GRM4 (0.30) GRM4
SCHEMBL24198307 0.69 TDO2 (0.34)
SCHEMBL22901869 0.69 ALDH1A1 (0.37) DYRK1A

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-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 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-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 GRM4 4856/4885TRPA1 1375/4885DYRK1A 919/4885

“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.