SCHEMBL23928422

SCHEMBL23928422

Cn1nc(C(F)(F)F)cc1NC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CDK8 P49336 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK14 Q16539 5/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
FLT3 P36888 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL13170034 0.85 MAPK14 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31034603 0.85 CDK8 (0.62) CDK8MAPK14MAPTLMNAKDM4E
SCHEMBL31348076 0.81 CDK8 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28401432 0.77 GRM5 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28407306 0.77 POLB (0.52) ALDH1A1CYP3A4HSD17B10MAPK14MAPT
SCHEMBL23872224 0.77 LRRK2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL572957 0.76 FLT3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28401527 0.76 CRACR2A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19258547 0.76 KCNJ6 (0.63) CDK8ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL28405255 0.76 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034141-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-01-30 US disclosed
US-12152027-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-11-26 US disclosed
US-11897879-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-13 US disclosed
US-20220089595-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-03-24 US disclosed
US-20220048916-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-02-17 US disclosed
US-11230545-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 US disclosed
US-20210332045-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-28 US disclosed
CN-113038948-A Heterocyclic compounds 武田药品工业株式会社 2021-06-25 CN 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 (7 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-20220089595-A1 HETEROCYCLIC COMPOUND MALT1, SQSTM1, PPM1D HDAC3 1116/4885HDAC4 1759/4885HDAC1 137/4885
US-20250034141-A1 HETEROCYCLIC COMPOUND MALT1, SQSTM1, PPM1D HDAC3 1116/4885HDAC4 1759/4885HDAC1 137/4885
US-11230545-B2 Heterocyclic compound MALT1, SQSTM1, PPM1D HDAC3 1116/4885HDAC4 1759/4885HDAC1 137/4885
US-20210332045-A1 HETEROCYCLIC COMPOUND MALT1, SQSTM1, PPM1D HDAC3 1116/4885HDAC4 1759/4885HDAC1 137/4885
US-12152027-B2 Heterocyclic compound MALT1, SQSTM1, PPM1D HDAC3 1116/4885HDAC4 1759/4885HDAC1 137/4885
US-20220048916-A1 HETEROCYCLIC COMPOUND MALT1, SQSTM1, PPM1D HDAC3 1116/4885HDAC4 1759/4885HDAC1 137/4885
US-11897879-B2 Heterocyclic compound MALT1, SQSTM1, PPM1D HDAC3 1116/4885HDAC4 1759/4885HDAC1 137/4885

“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.