SCHEMBL19992633

SCHEMBL19992633

COc1cnc(-c2cn3cc(C(F)(F)F)ccc3n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 5/20 0.50
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 3/20 0.50
NFKB1 P19838 3/20 0.50
NFKB2 Q00653 3/20 0.50
RELA Q04206 3/20 0.50
POLB P06746 1/20 0.50
GFER P55789 1/20 0.50
RCE1 Q9Y256 1/20 0.50
MAPT P10636 3/20 0.46
DYRK3 O43781 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
DYRK1A Q13627 2/20 0.41
DYRK2 Q92630 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
ALDH1A3 P47895 3/20 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
SCHEMBL22256396 0.82 KDM4E (0.50) KDM4ESMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL19992608 0.77 TRPA1 (0.40) KDM4ESMN1; SMN2DYRK3CCNA2CDK2
SCHEMBL19992609 0.76 DYRK3 (0.38) KDM4ESMN1; SMN2DYRK3CCNA2CDK2
SCHEMBL1691898 0.71 ALDH1A3 (0.67) KDM4ESMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL19992530 0.71 NPC1 (0.46) KDM4ESMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL9788684 0.71 NPC1 (0.76) KDM4ESMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL29556695 0.68 NPC1 (0.52) KDM4ESMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL15065075 0.68 ALDH1A1 (0.36) KDM4ESMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL31071669 0.68 NPC1 (0.76) KDM4ESMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL16648467 0.68 KDM4E (0.54) KDM4ESMN1; SMN2NPC1ALDH1A1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514155-B1 HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME SUMITOMO CHEMICAL CO (JP) 2021-06-09 EP disclosed
US-10721929-B2 Heterocyclic compound and harmful-arthropod-controlling agent containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-07-28 US disclosed
US-20190223436-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-25 US disclosed
EP-3514155-A1 HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME Sumitomo Chemical Company, Limited (JP) 2019-07-24 EP disclosed
WO-2018052119-A1 HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME 住友化学株式会社 2018-03-22 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 (2 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-20190223436-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME OXER1, TAAR1, NR1D1 KDM4E 3909/4885SMN1; SMN2 1893/4885NPC1 1000/4885
US-10721929-B2 Heterocyclic compound and harmful-arthropod-controlling agent containing same OXER1, TAAR1, NR1D1 KDM4E 3909/4885SMN1; SMN2 1893/4885NPC1 1000/4885

“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.