SCHEMBL22925568

SCHEMBL22925568

Nc1ncc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.48
TRPV1 Q8NER1 7/20 0.44
IKBKB O14920 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
NOTUM Q6P988 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40

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
SCHEMBL22925714 0.81 RAB9A (0.53) HDAC1HDAC6MEN1MITFRAB9A
SCHEMBL22925721 0.81 NPSR1 (0.47) KIF11IKBKBKMT2APDE2A
SCHEMBL29620975 0.81 NPSR1 (0.47) KIF11IKBKBKMT2APDE2A
SCHEMBL22925776 0.80 TRPV1 (0.46) KIF11TRPV1HDAC1HDAC6RAB9A
SCHEMBL10222178 0.80 CA12 (0.53) KIF11TRPV1HDAC1HDAC6MEN1
SCHEMBL6291969 0.80 TRPV1 (0.43) KIF11TRPV1HDAC1HDAC6NPC1
SCHEMBL14058058 0.80 TRPV1 (0.46) KIF11TRPV1HDAC1HDAC6RAB9A
SCHEMBL14650191 0.80 SCN10A (0.43) NOTUM
SCHEMBL4524356 0.79 ADORA2A (0.46) IKBKBHDAC1HDAC6RAB9ANOTUM
SCHEMBL22925795 0.77 KIF11 (0.53) KIF11

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
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 US disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 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-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB KIF11 4192/4885TRPV1 4690/4885IKBKB 35/4885

“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.