SCHEMBL29965600

SCHEMBL29965600

COC(=O)Nc1ccc(N)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 2/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
RECQL P46063 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TNIK Q9UKE5 2/20 0.47
MAPT P10636 2/20 0.45
FAAH O00519 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AGPAT2 O15120 1/20 0.42

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
SCHEMBL21262587 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CYP3A4THRBALOX15
SCHEMBL10782684 0.86 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CYP3A4TDP1KDM4E
SCHEMBL31314406 0.86 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CYP3A4TDP1KDM4E
SCHEMBL707247 0.83 CA12 (0.54) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL29425603 0.83 CA12 (0.54) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL1654638 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL10975265 0.83 POLB (0.63) SMN1; SMN2ALDH1A1ALOX15RECQLKDM4E
SCHEMBL3928807 0.82 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1CYP3A4MAPTNPC1
SCHEMBL1832506 0.81 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1CYP3A4THRBALOX15
SCHEMBL29780101 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CYP3A4TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4477271-B1 N-(PHENYL)-5-(HETEROARYL)-1H-PYRAZOL-3-AMINE DERIVATIVES AS TNIK INHIBITORS FOR USE IN THE TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2026-05-13 EP disclosed
EP-4477271-A2 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2024-12-18 EP disclosed
EP-3749648-B1 N-(PHENYL)-5-(PHENYL)-1H-PYRAZOL-3-AMINE DERIVATIVES AS TNIK INHIBITORS FOR USE IN THE TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2024-10-30 EP disclosed
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2023-02-09 US disclosed
US-11485711-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-11-01 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-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK SMN1; SMN2 3402/4885ALDH1A1 4519/4885CYP3A4 4748/4885
US-11485711-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK SMN1; SMN2 3402/4885ALDH1A1 4519/4885CYP3A4 4748/4885
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK SMN1; SMN2 3402/4885ALDH1A1 4519/4885CYP3A4 4748/4885

“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.