SCHEMBL30022945

SCHEMBL30022945

CCn1cnc(-c2ccc(F)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.60
MAPK14 Q16539 14/20 0.58
MAPK13 O15264 13/20 0.58
MAPK12 P53778 13/20 0.58
MAPK11 Q15759 13/20 0.58
TGFBR2 P37173 3/20 0.57
MAP4K4 O95819 1/20 0.56
MAPK9 P45984 1/20 0.56
CSNK1A1 P48729 1/20 0.56
CSNK1D P48730 1/20 0.56
CDC42BPA Q5VT25 1/20 0.56
AURKB Q96GD4 1/20 0.56
MAP4K5 Q9Y4K4 1/20 0.56
TNIK Q9UKE5 1/20 0.53

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
SCHEMBL4805174 0.82 PTGS2 (0.63) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL27311897 0.81 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL20550895 0.79 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL23795643 0.77 MAPK14 (0.66) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL18041759 0.77 TGFBR1 (1.00) TGFBR1
SCHEMBL21759155 0.76 TGFBR1 (0.74) TGFBR1TGFBR2
SCHEMBL23795646 0.76 MAPK14 (0.49) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5756916 0.75 TGFBR1 (0.42) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL31568891 0.75 PTGS2 (0.61) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL18041856 0.75 TGFBR1 (1.00) TGFBR1TGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250154179-A1 GOLD (I) GEFITINIB DERIVATIVES AND PREPARATION METHOD AND APPLICATION THEREOF TONGJI HOSPITAL, TONGJI MEDICAL COLLEGE, HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2025-05-15 US claimed
CN-117986277-A Parafluorobenzaldehyde derivative, preparation method thereof and application thereof in pharmacy 南京市第一医院 2024-05-07 CN claimed
US-20250154179-A1 GOLD (I) GEFITINIB DERIVATIVES AND PREPARATION METHOD AND APPLICATION THEREOF TONGJI HOSPITAL, TONGJI MEDICAL COLLEGE, HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2025-05-15 US disclosed
CN-110551156-B Specific group-modified N1, N3-substituted 4,5-diaryl imidazole ring carbene rhodium complex and preparation method and application thereof 南京中医药大学 2022-11-25 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 (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-20250154179-A1 GOLD (I) GEFITINIB DERIVATIVES AND PREPARATION METHOD AND APPLICATION THEREOF EGFR, MAP2K4, MAP2K3 TGFBR1 787/4885MAPK14 347/4885MAPK13 517/4885

“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.