SCHEMBL19966737

SCHEMBL19966737

CC(C)c1ccc2ncc(C(N)=O)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.50
TNIK Q9UKE5 1/20 0.41
PSMD14 O00487 1/20 0.41
STAMBP O95630 1/20 0.41
COPS5 Q92905 1/20 0.41
CHEK2 O96017 2/20 0.41
MGAM O43451 1/20 0.41
KLKB1 P03952 2/20 0.40
MAP4K1 Q92918 2/20 0.40
HDAC6 Q9UBN7 5/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NPC1 O15118 1/20 0.39
SCN4A P35499 1/20 0.39

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
SCHEMBL20173756 0.86 MGAM (0.57) PSMD14MGAMHDAC6SMN1; SMN2EGLN1
SCHEMBL20173757 0.82 ALOX15 (0.50) HPGDSPSMD14HDAC6HDAC3HDAC1
SCHEMBL5405254 0.82 HPGDS (0.55) HPGDSTNIKPSMD14STAMBPCOPS5
SCHEMBL15125086 0.80 HPGDS (0.54) HPGDSPSMD14STAMBPCOPS5CHEK2
SCHEMBL10199417 0.78 NPC1 (0.44) NPC1SCN4ARAB9ASMN1; SMN2EGLN1
SCHEMBL27471536 0.76 HPGDS (0.50) HPGDSTNIKPSMD14STAMBPCOPS5
SCHEMBL3868878 0.76 HPGDS (0.50) HPGDSTNIKPSMD14STAMBPCOPS5
SCHEMBL15775057 0.76 ALPL (0.50) HPGDSPSMD14STAMBPCOPS5CHEK2
SCHEMBL3845152 0.76 HPGDS (0.78) HPGDS
SCHEMBL22280319 0.76 TGFBR1 (0.49) NPC1SCN4ARAB9ASMN1; SMN2EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-03-12 US disclosed
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US 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 (3 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 HPGDS 1294/4885TNIK 3982/4885PSMD14 3043/4885
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 HPGDS 3675/4885TNIK 31/4885PSMD14 1285/4885
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors IRAK4, IRAK1, IRAK3 HPGDS 3675/4885TNIK 31/4885PSMD14 1285/4885

“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.