SCHEMBL22099804

SCHEMBL22099804

Cc1ccn(C)n1.Fc1cncc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.39
CYP11B1 P15538 3/20 0.39
SCN4A P35499 1/20 0.38
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
JMJD6 Q6NYC1 1/20 0.35
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 3/20 0.34
HCAR2 Q8TDS4 1/20 0.33
KEAP1 Q14145 1/20 0.32
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL75314 0.81
Hydrochloric Acid SCHEMBL27901405 0.79
SCHEMBL25646042 0.78 MKNK1 (0.52) CYP11B2CYP11B1SCN4AMAPTMKNK1
SCHEMBL2690822 0.77 ELOVL1 (0.46) CYP11B2CYP11B1MAPTRAB9AKDM4E
Boric Acid SCHEMBL17848604 0.73 NOS1 (0.42) SCN4AMAPTRAB9AKDM4EALDH1A1
SCHEMBL2551980 0.73 KMT2A (0.40) MAPTRAB9AKDM4EALDH1A1GAA
Pyridine SCHEMBL28098609 0.72 KMT2A (0.45) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL56635 0.71
Formamide SCHEMBL10967419 0.69 KEAP1 (0.39) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL17477604 0.69 KEAP1 (0.39) MAPTRAB9AKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548854-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2023-01-10 US disclosed
US-11332448-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2022-05-17 US disclosed
US-10961201-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2021-03-30 US disclosed
US-20210053924-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-02-25 US disclosed
US-20210017136-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-01-21 US disclosed
US-10689348-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2020-06-23 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 (6 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-10961201-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS CYP11B2 283/4885CYP11B1 291/4885SCN4A 2909/4885
US-10689348-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS CYP11B2 283/4885CYP11B1 291/4885SCN4A 2909/4885
US-11548854-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS CYP11B2 283/4885CYP11B1 291/4885SCN4A 2909/4885
US-20210053924-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS CYP11B2 283/4885CYP11B1 291/4885SCN4A 2909/4885
US-11332448-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS CYP11B2 283/4885CYP11B1 291/4885SCN4A 2909/4885
US-20210017136-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS CYP11B2 283/4885CYP11B1 291/4885SCN4A 2909/4885

“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.