SCHEMBL17404666

SCHEMBL17404666

O=[N+]([O-])c1ncccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
TOP1 P11387 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE4C Q08493 1/20 0.43
ABCC1 P33527 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
PDE10A Q9Y233 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
SCHEMBL30270007 0.84 CYP2A6 (0.50) KMT2AMEN1ALDH1A1PTGS2PDE4A
SCHEMBL27947325 0.84 MEN1 (0.43) KMT2AMEN1ALDH1A1TDP1RAB9A
SCHEMBL23319561 0.84 S1PR4 (0.48) KMT2AMEN1ALDH1A1TDP1RAB9A
SCHEMBL12948011 0.84 PAX8 (0.47) KMT2AMEN1ALDH1A1TDP1RAB9A
SCHEMBL27974644 0.83 MEN1 (0.41) KMT2AMEN1ALDH1A1TDP1RAB9A
SCHEMBL12919975 0.80 MEN1 (0.42) KMT2AMEN1ALDH1A1RAB9APDE4A
SCHEMBL11901986 0.79 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1TDP1RAB9A
SCHEMBL28135625 0.78 KMT2A (0.42) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL1395504 0.76 KMT2A (0.49) KMT2AMEN1ALDH1A1TDP1PTGS1
Benzene SCHEMBL28231880 0.73 MEN1 (0.45) KMT2AMEN1ALDH1A1TDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
US-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD (CN) 2016-01-07 US disclosed
CN-1714078-A Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL NV (NL) 2005-12-28 CN 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-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR PACSIN2, MAPKAPK2, PRKCA KMT2A 1140/4885MEN1 4425/4885ALDH1A1 3582/4885

“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.