SCHEMBL29959944

SCHEMBL29959944

CCc1cccc(C(=O)Cc2ccnc3ccccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.41
PDE4A P27815 1/20 0.39
THRB P10828 1/20 0.39
TGFBR1 P36897 1/20 0.39
MAPK14 Q16539 1/20 0.39
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
FERMT2 Q96AC1 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL5234356 1.00 CYP1A2 (0.47) CYP1A2LOXL2PDE4ATHRBTGFBR1
SCHEMBL5237932 0.90 CYP1A2 (0.48) CYP1A2LOXL2PDE4AADORA2AADORA1
SCHEMBL5267623 0.84 MRGPRX4 (0.37) CYP1A2
SCHEMBL5235225 0.84 CYP1A2 (0.49) CYP1A2LOXL2PDE4ATGFBR1MAPK14
SCHEMBL29959459 0.84 CYP1A2 (0.49) CYP1A2LOXL2PDE4ATGFBR1MAPK14
SCHEMBL5233274 0.84 CYP1A2 (0.55) CYP1A2LOXL2PDE4AADORA2AADORA1
SCHEMBL5236988 0.82 CYP1A2 (0.49) CYP1A2LOXL2PDE4AADORA2AADORA1
SCHEMBL5236887 0.82 CYP1A2 (0.49) CYP1A2LOXL2PDE4ATGFBR1MAPK14
SCHEMBL4872415 0.82 CYP1A2 (0.49) CYP1A2LOXL2PDE4ATGFBR1ADORA2A
SCHEMBL5235242 0.81 CYP1A2 (0.46) CYP1A2LOXL2PDE4ATHRBTGFBR1

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-20250333395-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 Agomab Spain, S.L.U. (ES) 2025-10-30 US disclosed
CN-114787145-B Benzamide derivatives as transforming growth factor-beta receptor I/ALK5 inhibitors 阿戈麦布西班牙股份有限公司 2024-03-26 CN disclosed
EP-4065572-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 Origo Biopharma, S.L. (ES) 2022-10-05 EP 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-20250333395-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 TGFBR2, TGFBR1, ACVR1 CYP1A2 3030/4885LOXL2 201/4885PDE4A 2393/4885

“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.