Sugi Predict

Sugi Predict / Compounds / SCHEMBL890570

SCHEMBL890570

SCHEMBL890570

O/N=C/c1c(Cl)ncnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ GAA P10253 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ MYC P01106 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL890571 1.00 MAPT (0.36) MAPTGAARXFP1SMN1; SMN2CA12
SCHEMBL1999494 0.74 SMN1; SMN2 (0.36) MAPTGAASMN1; SMN2CA12CA1
SCHEMBL1999492 0.74 SMN1; SMN2 (0.36) MAPTGAASMN1; SMN2CA12CA1
SCHEMBL1094886 0.71 RET (0.42) KDM4EL3MBTL1HTTLMNAALOX15
SCHEMBL1094884 0.71 RET (0.42) KDM4EL3MBTL1HTTLMNAALOX15
SCHEMBL28480333 0.71 RET (0.41) —
SCHEMBL13920963 0.70 HPGD (0.33) MAPTKDM4EKMT2AL3MBTL1HTT
SCHEMBL6442639 0.70 LMNA (0.37) SMN1; SMN2CA12CA1CA2ESR1
SCHEMBL6442643 0.70 LMNA (0.37) SMN1; SMN2CA12CA1CA2ESR1
SCHEMBL13754216 0.67 PDE4A (0.34) HTTPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106279040-B Pyrimidine compound containing oximino and application thereof 沈阳中化农药化工研发有限公司 2020-11-10 — — CN disclosed
EP-3046563-B1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AS PI3-KINASE INHIBITORS CALITOR SCIENCES LLC (US) 2019-05-29 — — EP disclosed
US-9670194-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-06-06 — — US disclosed
US-9518046-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2016-12-13 — — US disclosed
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-11-03 — — US disclosed
EP-3046563-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2016-07-27 — — EP disclosed
US-20150087663-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 — — US disclosed
WO-2015042077-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 — — WO disclosed
US-8765768-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 — — US disclosed
US-8765768-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 — — US disclosed
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 — — US disclosed
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 — — US disclosed
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 — — US disclosed
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 — — US disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 — — US disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 — — US disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 — — US disclosed
WO-2007084815-A2 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-26 — — WO disclosed
WO-2007084815-A2 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-26 — — WO disclosed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 — — 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-20150087663-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 MAPT 4480/4885GAA 1269/4885RXFP1 4870/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 MAPT 1795/4885GAA 679/4885RXFP1 4627/4885
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 MAPT 4477/4885GAA 1319/4885RXFP1 4872/4885
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS MAP4K2, MAP3K6, MAP3K2 MAPT 2641/4885GAA 2160/4885RXFP1 4726/4885

“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.