SCHEMBL23927018

SCHEMBL23927018

O=c1[nH]c2cnccc2n1-c1ccc(Oc2ccc(Br)c(OC(F)(F)F)c2)nc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.34
MAT2A P31153 1/20 0.34
MMP13 P45452 5/20 0.33
THRB P10828 1/20 0.32
TGFBR1 P36897 2/20 0.32
SCN9A Q15858 2/20 0.31
SCN10A Q9Y5Y9 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
SCN7A Q01118 1/20 0.31
KCNH2 Q12809 1/20 0.31
DRD1 P21728 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C9 P11712 1/20 0.30
NTRK1 P04629 1/20 0.30
HRH3 Q9Y5N1 2/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL23927076 0.89 TNKS (0.36) TNKSMAT2AMMP13TGFBR1SCN9A
SCHEMBL25027896 0.85 MAT2A (0.39) TNKSMAT2APOLBL3MBTL1NTRK1
SCHEMBL30079065 0.80 DRD1 (0.40) TNKSMMP13DRD1NTRK1HRH3
SCHEMBL23927008 0.80 DRD1 (0.40) TNKSMMP13DRD1NTRK1HRH3
SCHEMBL16657387 0.77 L3MBTL1 (0.50) TNKSMAT2ATGFBR1CYP3A4CYP1A2
SCHEMBL30079057 0.77 TNKS (0.38) TNKSMMP13TGFBR1CYP3A4CYP1A2
SCHEMBL25027659 0.77 TNKS (0.38) TNKSTHRBTGFBR1CYP3A4CYP1A2
SCHEMBL23926975 0.77 TNKS (0.38) TNKSMMP13TGFBR1CYP3A4CYP1A2
SCHEMBL23927021 0.75 POLB (0.35) MMP13SCN9ASCN10ACYP3A4CYP1A2
SCHEMBL25025657 0.73 DRD1 (0.41) MAT2ACYP3A4DRD1POLBL3MBTL1

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
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-4139306-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
CN-115380032-A KV3 enhancers for the treatment of cognitive disorders 豪夫迈·罗氏有限公司 2022-11-22 CN disclosed
WO-2021214090-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
EP-3901152-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP 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-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS KCNN3, KCNA4, KCNA3 TNKS 4456/4885MAT2A 4379/4885MMP13 4309/4885

“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.