SCHEMBL24034892

SCHEMBL24034892

FC(F)(F)c1cncc(OC2CNC2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ PIM1 P11309 2/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ HTR2A P28223 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ TYK2 P29597 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A3 Q01959 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
Hydrochloric Acid SCHEMBL30111818 0.98 HTR2C (0.36) HTR2CHTR2BSLC6A4PIM1PIM3
Hydrochloric Acid SCHEMBL28906178 0.98 HTR2C (0.36) HTR2CHTR2BSLC6A4PIM1PIM3
SCHEMBL25301249 0.81 LOXL2 (0.35) PIM1PIM3PIM2IDH1
SCHEMBL21810806 0.77 HTR2C (0.50) HTR2CHTR2BSLC6A4HTR2ASLC6A2
Hydrochloric Acid SCHEMBL21810793 0.76 HTR2C (0.49) HTR2CHTR2BSLC6A4HTR2ASLC6A2
SCHEMBL29277464 0.75 LOXL2 (0.31) —
SCHEMBL31656597 0.75 DYRK1A (0.35) SLC6A4PIM1PIM3PIM2DYRK1A
SCHEMBL31532572 0.72 SLC6A4 (0.38) HTR2CHTR2BSLC6A4HTR2ASLC6A2
SCHEMBL31308012 0.71 LOXL2 (0.39) IDH1
SCHEMBL30111755 0.70 ACACB (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 — — US disclosed
WO-2021228795-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-11-18 — — 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 (1 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-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRA3, GABRB3 HTR2C 499/4885HTR2B 660/4885SLC6A4 473/4885

“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.

Send feedback