SCHEMBL556950

SCHEMBL556950

c1cnc(-c2nccs2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.54
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.46
METAP1 P53582 1/20 0.44
RAB9A P51151 5/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
NOS1 P29475 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP19A1 P11511 3/20 0.41
NPC1 O15118 4/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
FBP1 P09467 1/20 0.39
PDK1 Q15118 1/20 0.39
ADRB2 P07550 1/20 0.38
SMPD3 Q9NY59 1/20 0.37

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
SCHEMBL16112970 0.80 PDPK1 (0.45) PDPK1CYP2A6ADORA2AMETAP1RAB9A
SCHEMBL102331 0.80 PDPK1 (0.59) PDPK1CYP2A6ADORA2AMETAP1RAB9A
SCHEMBL22130295 0.80 PDPK1 (0.67) PDPK1CYP2A6METAP1RAB9ALOXL2
SCHEMBL17701190 0.78 PDPK1 (0.43) PDPK1CYP2A6ADORA2AMETAP1RAB9A
SCHEMBL30534095 0.77 PDPK1 (0.56) PDPK1CYP2A6ADORA2AMETAP1RAB9A
SCHEMBL30632310 0.77 PDPK1 (0.56) PDPK1CYP2A6ADORA2AMETAP1RAB9A
SCHEMBL31556353 0.77 PDPK1 (0.56) PDPK1CYP2A6ADORA2AMETAP1RAB9A
SCHEMBL28154527 0.77 PDPK1 (0.56) PDPK1CYP2A6ADORA2AMETAP1RAB9A
SCHEMBL26658124 0.77 RAB9A (0.42) PDPK1CYP2A6ADORA2AMETAP1RAB9A
SCHEMBL26635219 0.77 ADORA2A (0.49) PDPK1CYP2A6ADORA2ARAB9ALOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149980-A Tert-butyloxycarbonyl micromolecule organic compound targeting PUF60, derivative thereof and application thereof 上海市奉贤区中心医院 2021-07-23 CN claimed
CN-101553232-A Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN claimed
CN-101553233-A Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN claimed
CN-101516379-A Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-08-26 CN claimed
US-12435076-B2 Fluorine-containing pyrimidine compound and method for producing same UNIMATEC CO., LTD. (JP) 2025-10-07 US disclosed
US-20240124436-A1 FLUORINE-CONTAINING PYRIMIDINE COMPOUND AND METHOD FOR PRODUCING SAME UNIMATEC CO., LTD. (JP) 2024-04-18 US disclosed
CN-114502551-B Fluorine-containing pyrimidine compound and preparation method thereof 优迈特株式会社 2023-08-22 CN disclosed
EP-4053123-A1 FLUORINATED PYRIMIDINE COMPOUND AND METHOD FOR MANUFACTURING SAME Unimatec Co., Ltd. (JP) 2022-09-07 EP disclosed
CN-114502551-A Fluorine-containing pyrimidine compound and preparation method thereof 优迈特株式会社 2022-05-13 CN disclosed
CN-113149980-A Tert-butyloxycarbonyl micromolecule organic compound targeting PUF60, derivative thereof and application thereof 上海市奉贤区中心医院 2021-07-23 CN disclosed
WO-2021085550-A1 FLUORINATED PYRIMIDINE COMPOUND AND METHOD FOR MANUFACTURING SAME ユニマテック株式会社 2021-05-06 WO disclosed
CN-108040481-B Pesticidally active polycyclic derivatives with sulfur-substituted five-membered ring heterocycles 先正达参股股份有限公司 2020-10-30 CN disclosed
WO-2007124221-A1 METHODS OF TREATING CELL PROLIFERATIVE DISORDERS BY USING PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2007-11-01 WO disclosed
CN-1914199-A Pyridyl or pyrimidyl thiazole compounds having protein kinase inhibitory activity CYCLACEL LTD (GB) 2007-02-14 CN disclosed
CN-1914199-A Pyridyl or pyrimidyl thiazole compounds having protein kinase inhibitory activity CYCLACEL LTD (GB) 2007-02-14 CN disclosed
US-7105517-B2 Thiazolyl substituted aminopyrimidines as plant protection agents SYNGENTA CROP PROTECTION, INC. (US) 2006-09-12 US disclosed
EP-1434776-B1 THIAZOLYL SUBSTITUTED AMINOPYRIMIDINES AS PLANT PROTECTION AGENTS SYNGENTA PARTICIPATIONS AG (CH) 2006-06-28 EP disclosed
US-20050038059-A1 Thiazolyl substituted aminopyrimidines as plant protection agents SYNGENTA CROP PROTECTION, INC. 2005-02-17 US disclosed
EP-1434776-A1 THIAZOLYL SUBSTITUTED AMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Syngenta Participations AG (CH) 2004-07-07 EP disclosed
WO-2003029249-A1 THIAZOLYL SUBSTITUTED AMINOPYRIMIDINES AS PLANT PROTECTION AGENTS SYNGENTA PARTICIPATIONS AG (CH) 2003-04-10 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 (3 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-20050038059-A1 Thiazolyl substituted aminopyrimidines as plant protection agents RARS2, CYP4X1, QDPR PDPK1 2278/4885CYP2A6 904/4885ADORA2A 1493/4885
US-12435076-B2 Fluorine-containing pyrimidine compound and method for producing same CNOT1, HAO1, NUDT1 PDPK1 2996/4885CYP2A6 512/4885ADORA2A 538/4885
US-20240124436-A1 FLUORINE-CONTAINING PYRIMIDINE COMPOUND AND METHOD FOR PRODUCING SAME CNOT1, NUDT1, HAO1 PDPK1 2962/4885CYP2A6 517/4885ADORA2A 542/4885

“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.