SCHEMBL839701

SCHEMBL839701

Fc1ccc(-n2ncc3c(Cl)ncnc32)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.53
CYP1A2 P05177 2/20 0.51
TP53 P04637 4/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 4/20 0.42
SLC2A1 P11166 4/20 0.42
SLC2A3 P11169 4/20 0.42
SLC2A2 P11168 3/20 0.42
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL30568414 1.00 CYP17A1 (0.53) CYP17A1CYP1A2TP53LMNAPOLB
SCHEMBL839044 0.89 CYP17A1 (0.55) CYP17A1CYP1A2TP53LMNAPOLB
SCHEMBL30568614 0.86 HSP90AA1 (0.42) CYP17A1CYP1A2TP53LMNAPOLB
SCHEMBL25343909 0.86 CYP17A1 (0.42) CYP17A1CYP1A2TP53LMNAPOLB
SCHEMBL30568436 0.86 CYP17A1 (0.42) CYP17A1CYP1A2TP53LMNAPOLB
SCHEMBL25341544 0.86 CYP17A1 (0.45) CYP17A1CYP1A2TP53LMNAPOLB
SCHEMBL25343463 0.86 TP53 (0.44) CYP17A1CYP1A2TP53LMNAPOLB
SCHEMBL25342411 0.86 HTT (0.54) CYP17A1CYP1A2TP53LMNAPOLB
SCHEMBL12414250 0.86 RAB9A (0.53) CYP17A1CYP1A2TP53LMNARAB9A
SCHEMBL25344635 0.84 CYP17A1 (0.56) CYP17A1CYP1A2TP53LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
EP-4739670-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-13 EP disclosed
US-20260070927-A1 INDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2026-03-12 US disclosed
EP-4536662-A1 INDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2025-04-16 EP disclosed
WO-2025021666-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-30 WO disclosed
WO-2025012057-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023237457-A1 INDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-12-14 WO disclosed
WO-2023237457-A1 INDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-12-14 WO disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed
WO-2005047288-A1 PYRAZOLOPYRIMIDINES AS ANTI - HEPATITS C AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-05-26 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 (2 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 CYP17A1 1126/4885CYP1A2 3364/4885TP53 4297/4885
US-20260070927-A1 INDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE MALT1, CCR1, CCR6 CYP17A1 1356/4885CYP1A2 449/4885TP53 2738/4885

“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.