SCHEMBL529185

SCHEMBL529185

Nc1nc(=O)[nH]c2nccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
GSK3B P49841 7/20 0.34
CDK5 Q00535 7/20 0.34
CCNB2 O95067 6/20 0.34
CDK1 P06493 6/20 0.34
CCNB1 P14635 6/20 0.34
CDK5R1 Q15078 6/20 0.34
CCNB3 Q8WWL7 6/20 0.34
GSK3A P49840 6/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL17159764 0.76 CCNB2 (0.38) GSK3BCDK5CCNB2CDK1CCNB1
SCHEMBL4261079 0.76 GSK3B (0.38) GSK3BCDK5CCNB2CDK1CCNB1
SCHEMBL3504133 0.74 PDK2 (0.38) CDK5CCNB2CDK1CCNB1CDK5R1
SCHEMBL8723154 0.74 KDM4E (0.42) ADORA2ACDK5CCNB2CDK1CCNB1
Pterine SCHEMBL64321 0.72 ALDH1A1 (0.41) GSK3BCDK5CCNB2CDK1CCNB1
SCHEMBL3817890 0.72 PARP1 (0.49) ADORA2ACDK1KDM4EALDH1A1LMNA
SCHEMBL28569682 0.72 CCNB2 (0.40) GSK3BCDK5CCNB2CDK1CCNB1
SCHEMBL1622735 0.72 AURKA (0.51) ADORA2ACDK5CDK5R1ALDH1A1MAPT
Pterine SCHEMBL702492 0.71 ALDH1A1 (0.40) GSK3BCDK5CCNB2CDK1CCNB1
Pterine SCHEMBL5703599 0.71 ALDH1A1 (0.40) GSK3BCDK5CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336927-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2015-11-26 US disclosed
US-9045453-B2 Substituted dioxopiperidinyl phthalimide derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-06-02 US disclosed
WO-2014110322-A2 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2014-07-17 WO disclosed
EP-2373165-B1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIES CONCERT PHARMACEUTICALS INC (US) 2013-10-30 EP disclosed
WO-2013130849-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2013-09-06 WO disclosed
US-20130150408-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
WO-2012079022-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed
WO-2012079075-A1 DEUTERATED PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed
WO-2012015986-A2 SUBSTITUTED DIOXOPIPERIDINYL PHTALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-02-02 WO disclosed
US-20110288126-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
EP-2373165-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIES CONCERT PHARMACEUTICALS, INC. (US) 2011-10-12 EP disclosed
WO-2010056344-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIES CONCERT PHARMACEUTICALS INC. (US) 2010-05-20 WO disclosed
EP-0759927-B1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES US GOV HEALTH & HUMAN SERV (US) 1998-06-24 EP disclosed
US-5612468-A GENETIC ENGINEERING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-18 US disclosed
EP-0759927-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-05 EP disclosed
US-5525711-A MONOMERS FOR DNA AMPLIFICATION PROCEDURES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-11 US disclosed
WO-1995031469-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-11-23 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 (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-20110288126-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES NFATC1, PDCD11, IL5 ADORA2A 2800/4885GSK3B 2236/4885CDK5 3176/4885
US-20130150408-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES NFATC1, PDCD11, IL5 ADORA2A 2800/4885GSK3B 2236/4885CDK5 3176/4885
US-20150336927-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES NFATC1, PDCD11, IL5 ADORA2A 2800/4885GSK3B 2236/4885CDK5 3176/4885

“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.