SCHEMBL3735503

SCHEMBL3735503

CNc1cc(N)nc(N)n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 13/20 0.59
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PABPC1 P11940 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HTR6 P50406 1/20 0.46
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL11566610 0.82 MEN1 (0.50) NUDT1MEN1NPC1MAPTPABPC1
SCHEMBL12639130 0.79 NUDT1 (0.57) NUDT1NPC1MAPTRAB9A
SCHEMBL30166651 0.79 NUDT1 (0.57) NUDT1NPC1MAPTRAB9A
SCHEMBL16840718 0.79 NOS3 (0.45) NUDT1NPC1RAB9AHTR6
SCHEMBL11037706 0.79 HTR6 (0.47) NUDT1MAPTRAB9AHTR6
SCHEMBL3331353 0.78 MAPT (0.50) NUDT1MEN1NPC1MAPTPABPC1
SCHEMBL3751497 0.77 NUDT1 (0.55) NUDT1HTR6
Hydrochloric Acid SCHEMBL30478057 0.77 NUDT1 (0.55) NUDT1NPC1MAPTRAB9A
SCHEMBL15757689 0.77 NUDT1 (0.60) NUDT1HTR6
SCHEMBL2072360 0.77 NUDT1 (0.55) NUDT1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801494-B Thin polymer film, retardation films, polarizing film, liquid crystal display and compound 富士胶片株式会社 2019-05-17 — — CN disclosed
US-9656969-B2 Polymer film, retardation film, polarizing plate, liquid crystal display, and compound FUJIFILM CORPORATION (JP) 2017-05-23 — — US disclosed
US-20160159750-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND FUJIFILM CORPORATION (JP) 2016-06-09 — — US disclosed
US-9296877-B2 Polymer film, retardation film, polarizing plate, liquid crystal display, and compound FUJIFILM CORPORATION (JP) 2016-03-29 — — US disclosed
US-20140363588-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND FUJIFILM CORPORATION (JP) 2014-12-11 — — US disclosed
US-8871314-B2 Polymer film, retardation film, polarizing plate, liquid crystal display, and compound FUJIFILM CORPORATION (JP) 2014-10-28 — — US disclosed
US-20130266744-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND FUJIFILM CORPORATION (JP) 2013-10-10 — — US disclosed
CN-103249763-A Polymer film, phase difference film, polarizing plate, liquid crystal display, and compound FUJI PHOTO FILM CO LTD 2013-08-14 — — CN disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 — — US disclosed
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 — — US disclosed
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2009-03-05 — — US disclosed
CN-101243081-A Pyrido[2,3-d]pyrimidine-2,4-diamine compounds as PTP1B inhibitors HOFFMANN LA ROCHE (CH) 2008-08-13 — — CN disclosed
CN-101195625-A Antineoplastic medicament antifolate, its salt and midbody UNIV SHANGHAI JIAOTONG (CN) 2008-06-11 — — CN disclosed
EP-1910359-A1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. Hoffmann-Roche AG (CH) 2008-04-16 — — EP disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 — — US disclosed
WO-2007009911-A1 PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 — — WO disclosed
WO-2007009911-A1 PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 — — WO disclosed
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 — — US disclosed
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 — — US disclosed
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 — — US 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 NUDT1 529/4885MEN1 878/4885NPC1 58/4885
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP NUDT1 1420/4885MEN1 4804/4885NPC1 2525/4885
US-20160159750-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND PYM1, CNKSR1, MYB NUDT1 3889/4885MEN1 1019/4885NPC1 4563/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP NUDT1 1420/4885MEN1 4804/4885NPC1 2525/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP NUDT1 1420/4885MEN1 4804/4885NPC1 2525/4885
US-20140363588-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND PYM1, CNKSR1, MYB NUDT1 3951/4885MEN1 1189/4885NPC1 4646/4885

“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.

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