SCHEMBL411453

SCHEMBL411453

Nc1cc(Cl)nnc1OCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
THRB P10828 1/20 0.46
G6PD P11413 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
SSTR4 P31391 1/20 0.36
SCN9A Q15858 2/20 0.34
ADORA2A P29274 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL25131131 0.87 TDP1 (0.40) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL411902 0.79 SSTR4 (0.36) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL15350232 0.79 SSTR4 (0.38) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL25131711 0.77 TDP1 (0.47) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL15687792 0.76 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL25130998 0.75 MAPT (0.40) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL30226793 0.75 MAPT (0.40) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL25131703 0.74 TDP1 (0.44) ALDH1A1TDP1CYP2C19
SCHEMBL411906 0.73 CNR1 (0.44) ALDH1A1MAPTKDM4EHSD17B10SSTR4
SCHEMBL17490419 0.72 MAPT (0.42) ALDH1A1MAPTKDM4EMEN1USP2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250011299-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-01-09 US disclosed
EP-4405343-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-07-31 EP disclosed
CN-118201915-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2024-06-14 CN disclosed
WO-2023046698-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-03-30 WO disclosed
US-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 US disclosed
EP-4005637-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-06-01 EP disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
WO-2012080144-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed
WO-2012080144-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (4 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-20250011299-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS ALK, TGFBR1, ACVR1 ALDH1A1 742/4885MAPT 2942/4885KDM4E 474/4885
US-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC ALDH1A1 1563/4885MAPT 772/4885KDM4E 2610/4885
US-20120157476-A1 OXIME COMPOUNDS APOB, APOL1, PON1 ALDH1A1 202/4885MAPT 3768/4885KDM4E 1207/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR ALDH1A1 569/4885MAPT 4619/4885KDM4E 1685/4885

“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.