SCHEMBL4872056

SCHEMBL4872056

O=C(Cc1ccnc2ccccc12)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.49
LMNA P02545 1/20 0.49
NAPRT Q6XQN6 1/20 0.49
P4HTM Q9NXG6 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KDM5A P29375 1/20 0.43
CTNNB1 P35222 4/20 0.43
WNT3A P56704 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GRM4 Q14833 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPK9 P45984 1/20 0.41
GSK3B P49841 1/20 0.40
FAAH O00519 1/20 0.40
NSD2 O96028 1/20 0.40

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
SCHEMBL5233499 0.85 GRM4 (0.43) CYP1A2LMNANAPRTP4HTML3MBTL1
SCHEMBL5233274 0.84 CYP1A2 (0.55) CYP1A2LOXL2LMNANAPRTP4HTM
SCHEMBL5238712 0.84 CYP1A2 (0.51) CYP1A2LOXL2NAPRTHTTKDM4E
SCHEMBL5231726 0.83 GRM4 (0.44) CYP1A2LMNANAPRTP4HTML3MBTL1
SCHEMBL5236574 0.83 TSHR (0.48) CYP1A2LMNAL3MBTL1GRM4KDM4E
SCHEMBL5233929 0.82 CYP1A2 (0.50) CYP1A2LOXL2L3MBTL1ALDH1A1KMT2A
SCHEMBL5236988 0.81 CYP1A2 (0.49) CYP1A2LOXL2ALDH1A1HTTKDM4E
SCHEMBL5236887 0.81 CYP1A2 (0.49) CYP1A2LOXL2ALDH1A1HTTKDM4E
SCHEMBL4872415 0.81 CYP1A2 (0.49) CYP1A2LOXL2LMNAKDM5AALDH1A1
SCHEMBL29959459 0.81 CYP1A2 (0.49) CYP1A2LOXL2ALDH1A1HTTMAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373966-A1 2-(3-PYRIDIN-2-YL-4-QUINOLIN-4-YL-PYRAZOL-1-YL)-ACETAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 AGOMAB SPAIN S.L.U. (ES) 2023-11-23 US disclosed
US-20230373966-A1 2-(3-PYRIDIN-2-YL-4-QUINOLIN-4-YL-PYRAZOL-1-YL)-ACETAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 AGOMAB SPAIN S.L.U. (ES) 2023-11-23 US disclosed
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents BEIGHT DOUGLAS W 2005-10-06 US disclosed
EP-1543001-A1 NOVEL PYRAZOLOPYRIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2005-06-22 EP disclosed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US disclosed
US-20040063745-A1 2-amino-4-(pyridin-2-yl)-thiazole derivatives as transforming growth factor beta (tgf-beta) inhibitors GLAXO GROUP LIMITED (GB) 2004-04-01 US disclosed
WO-2004026871-A1 NOVEL PYRAZOLOPYRIDINE DERIVATVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
EP-1355892-A1 2-AMINO-4-(PYRIDIN-2-YL)-THIAZOLE DERIVATIVES AS TRANSFORMING GROWTH FACTOR BETA (TGF-BETA) INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-29 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO disclosed
WO-2002062776-A1 2-AMINO-4-(PYRIDIN-2-YL)-THIAZOLE DERIVATIVES AS TRANSFORMING GROWTH FACTOR BETA (TGF-BETA) INHIBITORS GLAXO GROUP LIMITED (GB) 2002-08-15 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 (4 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-20040063745-A1 2-amino-4-(pyridin-2-yl)-thiazole derivatives as transforming growth factor beta (tgf-beta) inhibitors TGFBR2, TGFBR1, TGFB1 CYP1A2 3016/4885LOXL2 274/4885LMNA 1743/4885
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents TGFB2, TGFB1, TGFBR1 CYP1A2 4047/4885LOXL2 2538/4885LMNA 3991/4885
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 CYP1A2 3968/4885LOXL2 1933/4885LMNA 4196/4885
US-20230373966-A1 2-(3-PYRIDIN-2-YL-4-QUINOLIN-4-YL-PYRAZOL-1-YL)-ACETAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 ACVR1, ACVRL1, TGFBR2 CYP1A2 1995/4885LOXL2 223/4885LMNA 1415/4885

“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.