SCHEMBL272937

SCHEMBL272937

[S]c1cnc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
PDGFRB P09619 3/20 0.52
PDGFRA P16234 3/20 0.52
MGAM O43451 1/20 0.52
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ACHE P22303 1/20 0.50
CYP2A6 P11509 1/20 0.48
BIRC5 O15392 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GPR3 P46089 1/20 0.46
EGFR P00533 1/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL8169341 0.79 CYP1A2 (0.57) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL2772360 0.78 PDGFRB (0.77) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL32667946 0.78 PDGFRB (0.77) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL271715 0.74 BIRC5 (0.59) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL372216 0.74 CYP1A2 (0.57) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL438735 0.74 CYP1A2 (0.57) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL2937 0.74 CYP1A2 (0.57) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL426440 0.74 CYP1A2 (0.57) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL272938 0.74 CYP1A2 (0.57) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL2938 0.74 CYP1A2 (1.00) CYP1A2PDGFRBPDGFRAMGAMALDH1A1

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 190 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 EP disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 US disclosed
EP-3861001-A1 BORON CONTAINING PDE4 INHIBITORS Pfizer Inc. (US) 2021-08-11 EP disclosed
CN-113166177-A Boron-containing PDE4 inhibitors 辉瑞公司 2021-07-23 CN disclosed
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PFIZER INC. (US) 2021-03-16 US disclosed
US-20210069219-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2021-03-11 US disclosed
WO-2020070651-A1 BORON CONTAINING PDE4 INHIBITORS PFIZER INC. (US) 2020-04-09 WO disclosed
US-20200108083-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2020-04-09 US disclosed
US-10076116-B2 N-cycloalkyl-N-(biheterocyclymethylene)-(thio)carboxamide derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-18 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
EP-1088098-A2 FITNESS ASSAY AND ASSOCIATED METHODS UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND SOCIAL SERVICES (US) 2001-04-04 EP disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
WO-1999067417-A2 FITNESS ASSAY AND ASSOCIATED METHODS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-29 WO disclosed
WO-1999067254-A2 MULTI-DRUG RESISTANT RETROVIRAL PROTEASE INHIBITORS AND USE THEREOF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-29 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 (8 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-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PDE4B, PDE4A, PDE3B CYP1A2 391/4885PDGFRB 760/4885PDGFRA 1712/4885
US-10076116-B2 N-cycloalkyl-N-(biheterocyclymethylene)-(thio)carboxamide derivatives CBR3, CYP51A1, NIT2 CYP1A2 40/4885PDGFRB 3684/4885PDGFRA 3328/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CYP1A2 23/4885PDGFRB 842/4885PDGFRA 1156/4885
US-20210069219-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B CYP1A2 1070/4885PDGFRB 1488/4885PDGFRA 2509/4885
US-20200108083-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B CYP1A2 1070/4885PDGFRB 1488/4885PDGFRA 2509/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B CYP1A2 1070/4885PDGFRB 1488/4885PDGFRA 2509/4885
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PDE4A, PDE4B, PDE12 CYP1A2 550/4885PDGFRB 141/4885PDGFRA 430/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CYP1A2 23/4885PDGFRB 842/4885PDGFRA 1156/4885

“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.