SCHEMBL230540

SCHEMBL230540

CC1=C(C(=O)O)C(c2ccc(C#N)cc2)n2nc(C)nc2N1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 2/20 0.51
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 2/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL231970 0.91 CYP1A2 (0.43) KDM4EMEN1KMT2ARAB9ATSHR
SCHEMBL229821 0.89 CYP1A2 (0.44) KDM4EMEN1KMT2ARAB9ATSHR
SCHEMBL232448 0.87 TP53 (0.45) KDM4EMEN1KMT2ARAB9ATSHR
SCHEMBL2742310 0.86 TSHR (0.67) KDM4EMEN1KMT2ARAB9ATSHR
SCHEMBL15456785 0.82 MAPT (0.42) KDM4EMEN1KMT2ARAB9ACYP1A2
SCHEMBL230512 0.81 LMNA (0.57) KDM4EMEN1KMT2ACYP3A4TP53
SCHEMBL15455520 0.81 ALDH1A1 (0.53) TSHRTP53MAPTPOLBTHRB
SCHEMBL12329664 0.80 ALDH1A1 (0.55) KDM4EMEN1KMT2ARAB9ATSHR
SCHEMBL2742309 0.77 TSHR (0.57) KDM4EMEN1KMT2ARAB9ATSHR
SCHEMBL230999 0.77 ADORA2B (0.47) KDM4ETP53ALDH1A1LMNA

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 8 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-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
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
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

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 4248/4885MEN1 4832/4885KMT2A 3374/4885
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 KDM4E 4248/4885MEN1 4832/4885KMT2A 3374/4885

“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.