SCHEMBL22256407

SCHEMBL22256407

COc1cc(-c2nc3ccc(C(F)(F)F)cn3c2I)ncn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.39
DYRK3 O43781 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TNF P01375 1/20 0.34
USP7 Q93009 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL19992609 0.83 DYRK3 (0.38) TRPA1DYRK3CCNA2CDK2DYRK1A
SCHEMBL22256394 0.82 TRPA1 (0.40) TRPA1DYRK3CCNA2CDK2DYRK1A
SCHEMBL22256396 0.77 KDM4E (0.50) DYRK3CCNA2CDK2DYRK1ADYRK2
SCHEMBL19992566 0.70 TRPA1 (0.35) TRPA1KDM4EALDH1A1USP7
SCHEMBL19992607 0.70 USP7 (0.41) TRPA1KDM4EALDH1A1USP7
SCHEMBL19992608 0.70 TRPA1 (0.40) TRPA1DYRK3CCNA2CDK2DYRK1A
SCHEMBL25350169 0.70 TRPA1 (0.35) TRPA1KDM4ERXFP1
SCHEMBL28074599 0.68 TSHR (0.43) KDM4ETRPV1
SCHEMBL23131449 0.66 TRPA1 (0.36) TRPA1KDM4EALDH1A1RXFP1
SCHEMBL17664492 0.66 FEN1 (0.46)

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
US-11084815-B2 Heterocyclic compound and harmful arthropod controlling agent containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-08-10 US disclosed
US-11040971-B2 2021-06-22 US disclosed
US-20200231587-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-07-23 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 (3 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-11040971-B2 C1QBP, C5, C3AR1 TRPA1 602/4885DYRK3 4136/4885CCNA2 517/4885
US-20200231587-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME C5, C3AR1, C9 TRPA1 278/4885DYRK3 4176/4885CCNA2 323/4885
US-11084815-B2 Heterocyclic compound and harmful arthropod controlling agent containing same C5, C3AR1, C9 TRPA1 278/4885DYRK3 4176/4885CCNA2 323/4885

“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.