SCHEMBL2921101

SCHEMBL2921101

Cc1nc2cc([N+](=O)[O-])cc(CO)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GPR35 Q9HC97 1/20 0.37
TSHR P16473 1/20 0.37
GRIN1 Q05586 1/20 0.37
PKM P14618 1/20 0.36
TYMS P04818 1/20 0.36

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
SCHEMBL2912971 0.85 CYP1A2 (0.43) HTTPOLBRAB9AMEN1KMT2A
SCHEMBL7029119 0.81 MEN1 (0.43) HTTPOLBRAB9AMEN1LMNA
SCHEMBL2921100 0.77 PKM (0.39) HTTPOLBRAB9AMEN1LMNA
SCHEMBL2919368 0.77 MAPT (0.42) HTTPOLBRAB9AMEN1LMNA
SCHEMBL2922182 0.75 TYMS (0.35) HTTPOLBRAB9AMEN1KMT2A
SCHEMBL2919854 0.75 CYP3A4 (0.46) HTTPOLBMEN1LMNAKMT2A
SCHEMBL12492530 0.71 MEN1 (0.52) HTTPOLBMEN1LMNAKMT2A
SCHEMBL1465844 0.71 HTT (0.40) HTTPOLBMEN1KMT2AALDH1A1
SCHEMBL23213701 0.69 ALDH1A1 (0.49) HTTPOLBMEN1LMNAKMT2A
SCHEMBL30407568 0.69 ALDH1A1 (0.49) HTTPOLBMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 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 (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-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE DSTYK, ABL1, EEF2K HTT 4685/4885POLB 4054/4885RAB9A 1494/4885

“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.