SCHEMBL5138748

SCHEMBL5138748

Oc1nc2cccnc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.58
POLB P06746 2/20 0.50
NPC1 O15118 10/20 0.45
RAB9A P51151 10/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 7/20 0.39
GAA P10253 2/20 0.39
GLA P06280 2/20 0.39
RUNX1 Q01196 2/20 0.39
CBFB Q13951 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL30943923 0.77 PDK1 (0.56) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2645378 0.77 PDK1 (0.56) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL30190003 0.77 PDK1 (0.60) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL140126 0.77 PDK1 (0.60) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13310867 0.75 PDK1 (0.58) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2642887 0.75 PDK1 (0.58) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL369133 0.75 PDK1 (0.58) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL137507 0.75 PDK1 (0.58) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2176039 0.75 PDK1 (0.58) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL1761326 0.75 PDK1 (0.58) PDK1POLBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US claimed
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives ASTELLAS PHARMA GMBH (DE) 2007-09-20 US claimed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 US claimed
US-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives KLINGE PHARMA GMBH 2004-09-09 US claimed
US-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH 2004-02-12 US claimed
US-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives KLINGE PHARMA GMBH 2004-01-15 US claimed
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives KLINGE PHARMA GMBH 2003-08-28 US claimed
JP-2000512652-A 2000-09-26 JP claimed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 EP claimed
CN-116813914-A Polyurethane hard foam stabilizer and preparation method thereof 山东思德新材料科技有限公司 2023-09-29 CN disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US disclosed
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives ASTELLAS PHARMA GMBH (DE) 2007-09-20 US disclosed
US-7241745-B2 Pyridyl alkene and pyridyl alkine acid amides as cytostatics and immunosupressives ASTELLAS PHARMA GMBH (DE) 2007-07-10 US disclosed
WO-1999031060-A2 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES AS CYTOSTATICS AND IMMUNESUPPRESSANTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed
WO-1999031063-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 EP disclosed
WO-1997048397-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION KLINGE PHARMA GMBH (DE) 1997-12-24 WO disclosed
WO-1996004297-A9 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS 1996-05-02 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 (6 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-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives ALK, ANXA1, ANXA11 PDK1 304/4885POLB 2701/4885NPC1 3799/4885
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives NFATC1, PDCD1, ACIN1 PDK1 329/4885POLB 3054/4885NPC1 4437/4885
US-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives IDO1, ALK, ARG1 PDK1 376/4885POLB 2252/4885NPC1 4580/4885
US-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression ALK, IDO1, PDXK PDK1 369/4885POLB 3366/4885NPC1 4323/4885
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives ALK, TYMP, ANXA1 PDK1 388/4885POLB 2233/4885NPC1 3646/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 PDK1 274/4885POLB 2615/4885NPC1 4190/4885

“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.