SCHEMBL6883479

SCHEMBL6883479

Cc1nc2ccnc(-c3ccccc3)c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
BCHE P06276 2/20 0.48
TDO2 P48775 2/20 0.47
HTR2B P41595 1/20 0.47
HTR5A P47898 1/20 0.47
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
NQO2 P16083 1/20 0.43
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
IDO1 P14902 1/20 0.40
ACVR1 Q04771 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL6757632 0.80 KDM4E (0.54) KDM4EHPGDSMN1; SMN2BCHETDO2
SCHEMBL5586220 0.75 KIT (0.53) KDM4EHPGDSMN1; SMN2ADORA3ADORA2A
SCHEMBL18576288 0.74 MAOA (0.42) KDM4EHPGDSMN1; SMN2TDO2ADORA3
SCHEMBL1737755 0.73 BCHE (0.51) KDM4EHPGDSMN1; SMN2BCHETDO2
SCHEMBL19217458 0.73 CDK5 (0.67) KDM4EHPGDSMN1; SMN2BCHETDO2
SCHEMBL6883476 0.72 ADORA3 (0.53) KDM4EHPGDSMN1; SMN2ADORA3ADORA2A
SCHEMBL8296009 0.72 NOS2 (0.41) KDM4EADORA3ADORA2AADORA1PARP1
SCHEMBL12229386 0.71 ADORA3 (0.64) KDM4EHPGDSMN1; SMN2ADORA3ADORA2A
SCHEMBL1735558 0.70 TDO2 (0.59) KDM4EBCHETDO2HTR2BHTR5A
SCHEMBL27479714 0.70 ADORA3 (0.50) KDM4EHPGDSMN1; SMN2ADORA3ADORA2A

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 20 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
EP-2707372-B1 SPIRO-OXINDOLE MDM2 ANTAGONISTS UNIV MICHIGAN REGENTS (US) 2016-12-21 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
WO-2012155066-A2 SPIRO-OXINDOLE MDM2 ANTAGONISTS WANG SHAOMENG (US) 2012-11-15 WO disclosed
US-20120263675-A1 BIVALENT DIAZO BICYCLIC SMAC THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-18 US 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
US-20110112052-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-12 US disclosed
US-20110046189-A1 HETEROARYL-SUBSTITUTED BICYCLIC SMAC MIMETICS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-02-24 US disclosed
WO-2009126947-A2 HETEROARYL-SUBSTITUTED BICYCLIC SMAC MIMETICS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-10-15 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 (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-20140378680-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 KDM4E 4379/4885HPGD 677/4885SMN1; SMN2 3088/4885
US-20110112052-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 KDM4E 4379/4885HPGD 677/4885SMN1; SMN2 3088/4885
US-20140148494-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 KDM4E 4379/4885HPGD 677/4885SMN1; SMN2 3088/4885
US-20120263675-A1 BIVALENT DIAZO BICYCLIC SMAC BIRC2, BID, BIRC3 KDM4E 1011/4885HPGD 3467/4885SMN1; SMN2 138/4885
US-20110046189-A1 HETEROARYL-SUBSTITUTED BICYCLIC SMAC MIMETICS AND THE USES THEREOF BID, BAD, BIRC3 KDM4E 1819/4885HPGD 3667/4885SMN1; SMN2 156/4885
US-20130296303-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 KDM4E 4379/4885HPGD 677/4885SMN1; SMN2 3088/4885

“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.