SCHEMBL2742298

SCHEMBL2742298

[C-]#[N+]C1=C(C)Nc2nc(N)nn2C1c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
LMNA P02545 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 1/20 0.34
TP53 P04637 3/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 3/20 0.33

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
SCHEMBL2742313 0.85 ELANE (0.52) ELANELMNAMEN1KMT2ARAB9A
SCHEMBL2742311 0.85 ELANE (0.39) ELANELMNAMEN1KMT2ARAB9A
SCHEMBL231004 0.84 KMT2A (0.40) LMNAMEN1KMT2ARAB9ATP53
SCHEMBL229821 0.82 CYP1A2 (0.44) LMNAMEN1KMT2ARAB9ATP53
SCHEMBL2742307 0.80 KDM4E (0.55) ELANELMNAMEN1KMT2ATP53
SCHEMBL2742294 0.79 SMN1; SMN2 (0.48) ELANELMNAMEN1KMT2ATP53
SCHEMBL231034 0.78 ALDH1A1 (0.55) MEN1KMT2ARAB9ATP53MAPT
SCHEMBL230540 0.70 KDM4E (0.51) LMNAMEN1KMT2ARAB9ATP53
SCHEMBL231970 0.70 CYP1A2 (0.43) LMNAMEN1KMT2ARAB9ATP53
SCHEMBL230820 0.68 KDM4E (0.39) MEN1KMT2ARAB9ATP53MAPT

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 3 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-8569314-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-29 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 ELANE 337/4885LMNA 2053/4885MEN1 4832/4885

“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.