SCHEMBL21849174

SCHEMBL21849174

CC(C)(C)c1ccc2nc(C(F)(F)F)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.50
▸ KIF11 P52732 1/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PDE2A O00408 2/20 0.36
▸ NT5E P21589 1/20 0.36
▸ BRS3 P32247 4/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CCNE2 O96020 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL30586443 0.87 BACE1 (0.65) BACE1KCNH2HRH3NT5EPDE10A
SCHEMBL10967442 0.87 BACE1 (0.65) BACE1KCNH2HRH3NT5EPDE10A
SCHEMBL2704185 0.87 KCNH2 (0.42) BACE1SCN10AKCNH2HRH3MEN1
SCHEMBL19170716 0.79 SCN10A (0.37) BACE1SCN10AKCNH2HRH3MEN1
SCHEMBL13347730 0.78 CYP1A2 (0.57) BACE1MEN1KMT2AKDM4EALDH1A1
SCHEMBL30106734 0.78 CYP1A2 (0.57) BACE1MEN1KMT2AKDM4EALDH1A1
SCHEMBL21451306 0.77 BACE1 (0.41) BACE1KIF11SCN10AKCNH2MEN1
SCHEMBL10182842 0.76 CYP1A2 (0.59) BACE1SCN10AKCNH2MEN1KMT2A
SCHEMBL5833184 0.76 BACE1 (0.55) BACE1KMT2ANT5EKDM4E
SCHEMBL12755251 0.74 ALDH1A1 (0.45) BACE1SCN10AKCNH2MEN1KMT2A

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-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 — — US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 — — US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — 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 (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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP BACE1 1927/4885KIF11 2128/4885SCN10A 684/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP BACE1 1927/4885KIF11 2128/4885SCN10A 684/4885

“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.

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