SCHEMBL2891807

SCHEMBL2891807

CCn1ncc([N+](=O)[O-])n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TOP2A P11388 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM3 P20309 2/20 0.34
LMNA P02545 5/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
APOBEC3G Q9HC16 1/20 0.32
MITF O75030 1/20 0.32
POLB P06746 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
SCHEMBL23404192 0.80 TOP2A (0.39) ALDH1A1KMT2ATOP2ALMNAMAPT
SCHEMBL15740398 0.76 DGAT1 (0.32) MAPT
SCHEMBL30990338 0.75 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2CHRM2LMNA
SCHEMBL28988152 0.74 ERN1 (0.33)
SCHEMBL28693016 0.74
SCHEMBL2327599 0.73 LMNA (0.36) ALDH1A1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL9827399 0.73 TP53 (0.35) SMN1; SMN2MAPTPOLB
SCHEMBL22576567 0.73 SIGMAR1 (0.33) SMN1; SMN2LMNAMAPTPOLB
SCHEMBL2327873 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9827647 0.72 KMT2A (0.35) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846700-B2 Heteroaryl quinazoline derivatives MSD K.K. (JP) 2014-09-30 US disclosed
EP-2221301-B1 HETEROARYLOXY QUINAZOLINE DERIVATIVE MSD KK (JP) 2014-06-04 EP disclosed
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES MSD K.K. (JP) 2014-01-09 US disclosed
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES IINO TOMOHARU (JP) 2012-10-25 US disclosed
US-8232284-B2 Heteroaryloxy quinazoline derivative MSD K. K. (JP) 2012-07-31 US disclosed
US-20100249146-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE MSD K.K. (JP) 2010-09-30 US disclosed
EP-2221301-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-25 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 (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-20100249146-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVE GCKR, GCK, KHK ALDH1A1 1439/4885KMT2A 2220/4885SMN1; SMN2 4544/4885
US-20140011801-A1 HETEROARYL QUINAZOLINE DERIVATIVES GCK, GCKR, KHK ALDH1A1 1265/4885KMT2A 1791/4885SMN1; SMN2 4641/4885
US-20120270856-A1 HETEROARYLOXY QUINAZOLINE DERIVATIVES GCK, GCKR, KHK ALDH1A1 1412/4885KMT2A 2171/4885SMN1; SMN2 4539/4885

“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.