SCHEMBL22256396

SCHEMBL22256396

COc1cc(-c2cn3cc(C(F)(F)F)ccc3n2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
HPGD P15428 5/20 0.50
NFKB1 P19838 4/20 0.50
NFKB2 Q00653 4/20 0.50
RELA Q04206 4/20 0.50
POLB P06746 1/20 0.50
GFER P55789 1/20 0.50
RCE1 Q9Y256 1/20 0.50
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
DYRK3 O43781 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38

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
SCHEMBL19992633 0.82 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL22256407 0.77 TRPA1 (0.39) KDM4EALDH1A1DYRK3CCNA2CDK2
SCHEMBL28074599 0.75 TSHR (0.43) KDM4ESMN1; SMN2MAPK1TRPV1TSHR
SCHEMBL1691898 0.73 ALDH1A3 (0.67) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL22256394 0.73 TRPA1 (0.40) KDM4EALDH1A1DYRK3CCNA2CDK2
SCHEMBL9788684 0.71 NPC1 (0.76) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17664492 0.70 FEN1 (0.46)
SCHEMBL29556695 0.68 NPC1 (0.52) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL19992530 0.68 NPC1 (0.46) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12848874 0.68 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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 KDM4E 3227/4885ALDH1A1 1767/4885SMN1; SMN2 1602/4885
US-20200231587-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME C5, C3AR1, C9 KDM4E 2837/4885ALDH1A1 1940/4885SMN1; SMN2 1852/4885
US-11084815-B2 Heterocyclic compound and harmful arthropod controlling agent containing same C5, C3AR1, C9 KDM4E 2837/4885ALDH1A1 1940/4885SMN1; SMN2 1852/4885

“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.