SCHEMBL5586200

SCHEMBL5586200

Cc1nc2cncc(-c3ccccc3)c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
PARP1 P09874 2/20 0.41
TNKS2 Q9H2K2 1/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
ATM Q13315 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NPY5R Q15761 3/20 0.36
CYP17A1 P05093 1/20 0.36
CYP1A2 P05177 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL6757621 0.80 ADORA3 (0.54) ADORA3ADORA2AADORA1KDM4EHPGD
SCHEMBL6883476 0.79 ADORA3 (0.53) ADORA3ADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL19217456 0.73 DHODH (0.44) ADORA3ADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL27479714 0.73 ADORA3 (0.50) ADORA3ADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL10205827 0.69 AKT1 (0.48) AKT1AKT2ATMCYP17A1CYP1A2
SCHEMBL15071082 0.69 CSNK2A1 (0.39) ADORA3SMN1; SMN2PARP1TNKS2ALDH1A1
SCHEMBL27185599 0.68 HSP90AA1 (0.41) SMN1; SMN2KDM4EHPGDPARP1TNKS2
SCHEMBL1918924 0.68 ADORA3 (0.47) ADORA3ADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL12229386 0.68 ADORA3 (0.64) ADORA3ADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL6883479 0.67 KDM4E (0.50) ADORA3ADORA2AADORA1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491041-B1 BIVALENT DIAZO BICYCLIC SMAC MIMETICS AND THE USES THEREOF UNIV MICHIGAN REGENTS (US) 2017-08-09 EP disclosed
US-9302120-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-04-05 US disclosed
EP-2499145-B1 SPIRO-OXINDOLE MDM2 ANTAGONISTS UNIV MICHIGAN (US) 2016-01-27 EP disclosed
US-9079913-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-07-14 US disclosed
US-20140378680-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-25 US disclosed
US-8877796-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-04 US disclosed
US-8815927-B2 Bivalent diazo bicyclic Smac mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-08-26 US disclosed
US-20140148494-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-05-29 US disclosed
US-8680132-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-25 US disclosed
US-8629141-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-01-14 US disclosed
US-20130296303-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-11-07 US disclosed
US-8518984-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-08-27 US disclosed
US-8445473-B2 Heteroaryl-substituted bicyclic Smac mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-05-21 US disclosed
US-20120263675-A1 BIVALENT DIAZO BICYCLIC SMAC THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-18 US disclosed
WO-2012065022-A2 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-18 WO disclosed
WO-2011127058-A2 BIOMARKERS FOR MDM2 INHIBITORS FOR USE IN TREATING DISEASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-13 WO disclosed
WO-2011060049-A2 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-19 WO disclosed
US-20110112052-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-12 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 (5 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-20140378680-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 ADORA3 3445/4885ADORA2A 2027/4885ADORA1 3634/4885
US-20110112052-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 ADORA3 3445/4885ADORA2A 2027/4885ADORA1 3634/4885
US-20140148494-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 ADORA3 3445/4885ADORA2A 2027/4885ADORA1 3634/4885
US-20120263675-A1 BIVALENT DIAZO BICYCLIC SMAC BIRC2, BID, BIRC3 ADORA3 3336/4885ADORA2A 2963/4885ADORA1 3718/4885
US-20130296303-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 ADORA3 3445/4885ADORA2A 2027/4885ADORA1 3634/4885

“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.