SCHEMBL8076506

SCHEMBL8076506

Cc1c(C)n(Cc2ccccc2)c2ncnc(O)c12

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.72
KMT2A Q03164 8/20 0.72
NR2F2 P24468 2/20 0.72
KDM4E B2RXH2 2/20 0.71
TSHR P16473 2/20 0.71
MAPK1 P28482 1/20 0.71
HTT P42858 1/20 0.71
HSD17B10 Q99714 1/20 0.71
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
POLB P06746 2/20 0.62
KCNH2 Q12809 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ATM Q13315 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
NOTUM Q6P988 1/20 0.41

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
SCHEMBL2464129 0.84 MEN1 (1.00) MEN1KMT2ANR2F2KDM4ETSHR
SCHEMBL4362841 0.83 KDM4E (1.00) MEN1KMT2ANR2F2KDM4ETSHR
SCHEMBL17406875 0.82 MEN1 (0.51) MEN1KMT2ANR2F2KDM4ETSHR
SCHEMBL3157350 0.81 MEN1 (1.00) MEN1KMT2ANR2F2KDM4ETSHR
SCHEMBL17609473 0.77 POLB (0.71) MEN1KMT2ANR2F2KDM4ETSHR
SCHEMBL19327437 0.76 POLB (0.69) MEN1KMT2ANR2F2KDM4ETSHR
SCHEMBL8089684 0.75 MEN1 (0.56) MEN1KMT2ANR2F2KDM4ETSHR
SCHEMBL8084587 0.75 KMT2A (0.67) MEN1KMT2ANR2F2KDM4ETSHR
SCHEMBL11345433 0.75 EGFR (0.68) MEN1KMT2ANR2F2KDM4ETSHR
SCHEMBL3157071 0.74 KDM4E (0.55) MEN1KMT2ANR2F2KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981968-B2 Substituted pyrrolo[2,3-d]pyrimidines for the treatment of cancer and proliferative disorders NORTHWESTERN UNIVERSITY (US) 2018-05-29 US disclosed
US-9981968-B2 Substituted pyrrolo[2,3-d]pyrimidines for the treatment of cancer and proliferative disorders NORTHWESTERN UNIVERSITY (US) 2018-05-29 US disclosed
US-20160002252-A1 SUBSTITUTED PYRROLO[2,3-d]PYRIMIDINES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS NORTHWESTERN UNIVERSITY (US) 2016-01-07 US disclosed
US-20160002252-A1 SUBSTITUTED PYRROLO[2,3-d]PYRIMIDINES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS NORTHWESTERN UNIVERSITY (US) 2016-01-07 US disclosed
US-8697713-B2 Pyrrolopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US disclosed
US-8697713-B2 Pyrrolopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US disclosed
US-20100105708-A1 PYRROLOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-04-29 US disclosed
US-20100105708-A1 PYRROLOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-04-29 US disclosed
EP-1889847-A1 Pyrrolopyrimidines for pharmaceutical compositions DeveloGen Aktiengesellschaft (DE) 2008-02-20 EP disclosed
WO-2008006547-A2 PYRROLOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2008-01-17 WO disclosed
US-6096749-A ANTITUMOR, EPIDERMAL GROWTH FACTOR NOVARTIS CORPORATION (US) 2000-08-01 US disclosed
EP-0682027-B1 Pyrrolopyrimidine derivatives with antiproliferative action CIBA GEIGY AG (CH) 1997-10-15 EP disclosed
EP-0682027-A1 Pyrrolopyrimidine derivatives with antiproliferative action CIBA-GEIGY AG (CH) 1995-11-15 EP 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-20160002252-A1 SUBSTITUTED PYRROLO[2,3-d]PYRIMIDINES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS DPYD, TYMP, TYMS MEN1 3694/4885KMT2A 2515/4885NR2F2 1980/4885
US-20100105708-A1 PYRROLOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DMPK, PNKP, CMPK1 MEN1 1204/4885KMT2A 1274/4885NR2F2 2233/4885

“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.