SCHEMBL13040952

SCHEMBL13040952

CNc1nc(N)nc2nc(-c3ccccc3)cc(-c3ccccc3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.50
▸ MKNK1 Q9BUB5 2/20 0.50
▸ MKNK2 Q9HBH9 2/20 0.50
▸ ADORA2A P29274 2/20 0.49
▸ ADORA1 P30542 2/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ PTPN1 P18031 6/20 0.48
▸ NLRP3 Q96P20 1/20 0.48
▸ PPARG P37231 2/20 0.47
▸ NR2E3 Q9Y5X4 2/20 0.47
▸ NCOR2 Q9Y618 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ GRM5 P41594 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ADK P55263 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL13040951 0.87 PTPN1 (0.50) ACHEADORA2AADORA1ADORA3PTPN1
SCHEMBL3733715 0.73 PTPN1 (0.55) ADORA2APTPN1NLRP3ADK
SCHEMBL17407824 0.70 HRH4 (0.68) ADORA2AADORA1KDM4ETDP1KMT2A
SCHEMBL6811031 0.69 PIK3CG (0.64) MKNK1MKNK2ADORA2AADORA1PTPN1
SCHEMBL4904514 0.68 ADORA2A (1.00) ADORA2AADORA1ADORA3KDM4ETDP1
SCHEMBL14596563 0.68 MEN1 (0.44) ACHEMKNK1MKNK2ADORA2AADORA1
SCHEMBL4519688 0.68 DHFR (0.52) PTPN1NLRP3CYP1A2CYP2C19
SCHEMBL2040089 0.67 PPARG (0.84) ACHEMKNK1MKNK2PPARGNR2E3
SCHEMBL4899997 0.67 MAPT (0.50) ACHEMKNK1MKNK2ADORA2AADORA1
SCHEMBL6253328 0.67 ALDH1A1 (0.68) MKNK1MKNK2ADORA2APTPN1NLRP3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 — — US disclosed
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 — — US disclosed
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 — — EP disclosed
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2009-03-05 — — US disclosed
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2009-03-05 — — 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
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 (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-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP ACHE 4329/4885MKNK1 907/4885MKNK2 670/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP ACHE 4329/4885MKNK1 907/4885MKNK2 670/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP ACHE 4329/4885MKNK1 907/4885MKNK2 670/4885

“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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