SCHEMBL239645

SCHEMBL239645

Oc1nc2ncccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.62
PDE5A O76074 3/20 0.59
METAP1 P53582 2/20 0.55
METAP2 P50579 1/20 0.55
TP53 P04637 4/20 0.51
HPGD P15428 3/20 0.49
AURKA O14965 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPSE Q9Y251 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
BACE1 P56817 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL31490802 1.00 NUDT1 (0.62) NUDT1PDE5AMETAP1METAP2TP53
SCHEMBL1170747 0.80 METAP1 (0.72) NUDT1PDE5AMETAP1METAP2AURKA
SCHEMBL939186 0.79 NUDT1 (0.53) NUDT1PDE5AMETAP1METAP2HPGD
SCHEMBL27832091 0.78 PDE10A (0.57) NUDT1PDE5AMETAP1METAP2HPGD
SCHEMBL24520478 0.77 NUDT1 (0.60) NUDT1PDE5AMETAP1METAP2TP53
SCHEMBL805045 0.77 NUDT1 (0.60) NUDT1PDE5AMETAP1METAP2TP53
SCHEMBL620579 0.77 NUDT1 (0.60) NUDT1PDE5AMETAP1METAP2TP53
SCHEMBL323981 0.77 NUDT1 (0.60) NUDT1PDE5AMETAP1METAP2TP53
SCHEMBL21389521 0.77 NUDT1 (0.60) NUDT1PDE5AMETAP1METAP2TP53
SCHEMBL6962055 0.77 NUDT1 (0.60) NUDT1PDE5AMETAP1METAP2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014200885-A1 PDE10a INHIBITORS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2014-12-18 WO claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
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
EP-0344414-B1 5-Substitued imidazo[4,5-c]pyridines SEARLE & CO (US) 1994-10-12 EP claimed
JP-63275582-A None JP disclosed
CN-122094955-A Compound, light-emitting device, display device, electronic apparatus, and lighting device 2026-05-26 CN disclosed
US-20260059938-A1 ORGANIC EL ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE TORAY INDUSTRIES, INC. (JP) 2026-02-26 US disclosed
EP-4656637-A1 COMPOUND, AND LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE AND PHOTOSENSITIZER EACH CONTAINING SAME Toray Industries, Inc. (JP) 2025-12-03 EP disclosed
WO-1999031060-A2 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES AS CYTOSTATICS AND IMMUNESUPPRESSANTS 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
JP-S63275582-A PRODUCTION OF 1-AMINOIMIDAZO(4,5-B)PYRIDINE DERIVATIVE NAADE KENKYUSHO:KK 1988-11-14 JP 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-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives ALK, ANXA1, ANXA11 NUDT1 681/4885PDE5A 2884/4885METAP1 1400/4885
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives NFATC1, PDCD1, ACIN1 NUDT1 320/4885PDE5A 3812/4885METAP1 1537/4885
US-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives IDO1, ALK, ARG1 NUDT1 617/4885PDE5A 3129/4885METAP1 1066/4885
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 NUDT1 1089/4885PDE5A 1308/4885METAP1 3483/4885
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 NUDT1 1681/4885PDE5A 3312/4885METAP1 708/4885
US-20260059938-A1 ORGANIC EL ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE LEF1, LAGE3, EMC1 NUDT1 3034/4885PDE5A 4134/4885METAP1 1575/4885
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives ALK, TYMP, ANXA1 NUDT1 664/4885PDE5A 3474/4885METAP1 1251/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 NUDT1 435/4885PDE5A 2945/4885METAP1 1408/4885

“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.