SCHEMBL3593476

SCHEMBL3593476

O=C(O)c1cnc(-c2ccncc2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.63
DBF4 Q9UBU7 3/20 0.63
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CYP1A2 P05177 2/20 0.48
NFKB1 P19838 1/20 0.48
PPARG P37231 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
PTPN1 P18031 1/20 0.46
DYRK3 O43781 1/20 0.45

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
SCHEMBL27790018 0.87 CDC7 (0.65) CDC7DBF4NPC1RAB9ASMN1; SMN2
SCHEMBL1222603 0.85 ALDH1A1 (0.72) CDC7DBF4NPC1RAB9ASMN1; SMN2
SCHEMBL10853403 0.85 CDC7 (0.71) CDC7DBF4NPC1RAB9ASMN1; SMN2
SCHEMBL10848656 0.84 CDC7 (0.61) CDC7DBF4NPC1RAB9ASMN1; SMN2
SCHEMBL13788324 0.84 CDC7 (0.66) CDC7DBF4NPC1RAB9ASMN1; SMN2
SCHEMBL12571425 0.83 NPC1 (0.47) CDC7DBF4NPC1RAB9ASMN1; SMN2
SCHEMBL5041568 0.82 SMN1; SMN2 (0.54) CDC7DBF4NPC1RAB9ASMN1; SMN2
SCHEMBL1421843 0.81 MKNK1 (0.62) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4283912 0.81 HCAR2 (0.55) CDC7DBF4NPC1RAB9ASMN1; SMN2
SCHEMBL16703334 0.81 PTPN11 (0.59) CDC7DBF4NPC1RAB9ASMN1; 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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563094-B (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-03-18 CN disclosed
US-20220009918-A1 Chemical Compounds GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-13 US disclosed
US-20220009918-A1 Chemical Compounds GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-13 US disclosed
EP-3877384-A1 CHEMICAL COMPOUNDS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2021-09-15 EP disclosed
CN-112969698-A Chemical compound 葛兰素史密斯克莱知识产权发展有限公司 2021-06-15 CN disclosed
US-10654849-B2 (Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
EP-3468971-B1 NEW (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-02-19 EP disclosed
US-20190144449-A1 (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-05-16 US disclosed
EP-3468971-A1 NEW (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2019-04-17 EP disclosed
EP-2935271-B1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 / INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-25 EP disclosed
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
WO-2005079791-A1 THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-01 WO disclosed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
US-6140504-A Substituted intermediate compounds for the preparation of n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-31 US disclosed
US-6080767-A Substituted n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-27 US disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 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-20220009918-A1 Chemical Compounds HPGDS, PTGS1, PTGER1 CDC7 3467/4885DBF4 2198/4885NPC1 3330/4885
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD CDC7 893/4885DBF4 4312/4885NPC1 406/4885
US-20190144449-A1 (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, BCL2, CCNK CDC7 1688/4885DBF4 4300/4885NPC1 1133/4885
US-10654849-B2 (Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, BCL2, CCNK CDC7 1688/4885DBF4 4300/4885NPC1 1133/4885

“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.