SCHEMBL13736610

SCHEMBL13736610

Cc1cc(NC(=O)O)cc(-c2ccncc2[N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 4/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 4/20 0.38
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL13736612 1.00 ALDH1A1 (0.41) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL13833493 0.86 CYP17A1 (0.42) ALDH1A1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL13734820 0.80 TDP1 (0.44) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL17254423 0.76 MAPT (0.40) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL11908199 0.74 RPS6KA3 (0.43) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL13737070 0.74 TDP1 (0.39) ALDH1A1TDP1KMT2AMAPTSMN1; SMN2
SCHEMBL20914562 0.72 KMT2A (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL27973974 0.71 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20189898 0.71 ALDH1A1 (0.61) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL29973546 0.71 ALDH1A1 (0.61) ALDH1A1TDP1MEN1KMT2AMAPT

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-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US disclosed
EP-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 EP disclosed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 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 (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-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors PIM1, PIM2, PIM3 ALDH1A1 719/4885TDP1 834/4885MEN1 4221/4885

“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.