SCHEMBL1491879

SCHEMBL1491879

CCOC(=O)c1nn(-c2ccc(I)cc2)c(=O)c2c(N)scc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 12/20 1.00
▸ MAPT P10636 12/20 0.84
▸ KDM4E B2RXH2 4/20 0.84
▸ ALDH1A1 P00352 4/20 0.84
▸ ALOX12 P18054 3/20 0.84
▸ APP P05067 5/20 0.81
▸ CASP1 P29466 2/20 0.81
▸ MEN1 O00255 1/20 0.81
▸ KMT2A Q03164 1/20 0.81
▸ L3MBTL1 Q9Y468 1/20 0.81
▸ ALOX15 P16050 2/20 0.81
▸ HSD17B10 Q99714 2/20 0.81
▸ APAF1 O14727 1/20 0.80
▸ CACNA1B Q00975 1/20 0.80
▸ APBA1 Q02410 1/20 0.80
▸ MAPK1 P28482 1/20 0.80
▸ CASP6 P55212 1/20 0.80

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
SCHEMBL14660061 0.92 MAPT (0.88) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL16379167 0.92 MAPT (1.00) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL14659972 0.91 ADORA1 (1.00) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL1491918 0.90 MAPT (1.00) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL1491884 0.90 MAPT (1.00) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL1491896 0.90 MAPT (0.84) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL16379138 0.90 MAPT (1.00) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL7885074 0.89 MAPT (1.00) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL7877338 0.89 MAPT (0.88) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL12023613 0.89 MAPT (1.00) ADORA1MAPTKDM4EALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169087-B1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2001-01-02 — — US claimed
EP-1017697-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2000-07-12 — — EP claimed
WO-1999015529-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-04-01 — — WO claimed
US-20150004100-A1 HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY GE HEALTHCARE LIMITED (GB) 2015-01-01 — — US disclosed
US-20150004100-A1 HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY GE HEALTHCARE LIMITED (GB) 2015-01-01 — — US disclosed
WO-2013090497-A1 HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY GE HEALTHCARE LIMITED (GB) 2013-06-20 — — WO disclosed
US-20130029983-A1 AMINOTHIENOPYRIDAZINE INHIBITORS OF TAU ASSEMBLY THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2013-01-31 — — US disclosed
WO-2011037985-A1 AMINOTHIENOPYRIDAZINE INHIBITORS OF TAU ASSEMBLY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-31 — — WO disclosed
US-6169087-B1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2001-01-02 — — US disclosed
EP-1017697-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2000-07-12 — — EP disclosed
WO-1999015529-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-04-01 — — 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 (2 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-20150004100-A1 HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY MAPT, NAT1, APP ADORA1 438/4885MAPT 1/4885KDM4E 4419/4885
US-20130029983-A1 AMINOTHIENOPYRIDAZINE INHIBITORS OF TAU ASSEMBLY MAPT, PSEN1, PSEN2 ADORA1 2590/4885MAPT 1/4885KDM4E 2737/4885

“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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