SCHEMBL230820

SCHEMBL230820

COc1nc2n(n1)C(c1ccc(C#N)cc1)C(C#N)=C(C)N2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 4/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.35
MDM2 Q00987 2/20 0.35
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FASN P49327 1/20 0.34

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
SCHEMBL232448 0.84 TP53 (0.45) KDM4EMAPTTP53ALDH1A1KMT2A
SCHEMBL2742311 0.84 ELANE (0.39) KDM4EMAPTTP53ALDH1A1KMT2A
SCHEMBL231004 0.83 KMT2A (0.40) KDM4EMAPTTP53ALDH1A1KMT2A
SCHEMBL230478 0.83 KMT2A (0.38) KDM4EMAPTTP53ALDH1A1KMT2A
SCHEMBL232949 0.81 ELANE (0.41) KDM4EMAPTTP53ALDH1A1KMT2A
SCHEMBL2742308 0.81 ALDH1A1 (0.59) KDM4EMAPTTP53ALDH1A1KMT2A
SCHEMBL231767 0.76 KDM4E (0.56) KDM4EMAPTTP53ALDH1A1KMT2A
SCHEMBL230888 0.76 SMN1; SMN2 (0.51) KDM4EMAPTTP53ALDH1A1KMT2A
SCHEMBL231970 0.70 CYP1A2 (0.43) KDM4EMAPTTP53ALDH1A1KMT2A
SCHEMBL230540 0.70 KDM4E (0.51) KDM4EMAPTTP53ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359362-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9359362-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-8569314-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-29 US disclosed
US-8569314-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-29 US disclosed
EP-2385945-B1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER IP GMBH (DE) 2013-01-23 EP disclosed
EP-2385945-B1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER IP GMBH (DE) 2013-01-23 EP disclosed
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 US disclosed
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 US disclosed
EP-2385945-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD Bayer Pharma Aktiengesellschaft (DE) 2011-11-16 EP disclosed
US-8041896-B2 Virtualization platform with dedicated cache access HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2011-10-18 US disclosed
WO-2010078953-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 WO disclosed
WO-2010078953-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 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 (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-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 KDM4E 4248/4885MAPT 2705/4885TP53 3037/4885
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 KDM4E 4248/4885MAPT 2705/4885TP53 3037/4885

“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.