SCHEMBL17313637

SCHEMBL17313637

CC(=O)c1cc2cc(C=Cc3cc([N+](=O)[O-])ccc3C)cnc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.38
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 8/20 0.37
MEN1 O00255 7/20 0.37
MAPT P10636 6/20 0.37
LMNA P02545 5/20 0.37
CYP1A2 P05177 1/20 0.37
ABL1 P00519 2/20 0.36
SRC P12931 1/20 0.36
HTT P42858 4/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 2/20 0.35
MCL1 Q07820 1/20 0.35
PTK2B Q14289 1/20 0.35
DYRK3 O43781 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL15860136 1.00 NPBWR1 (0.38) NPBWR1ALDH1A1TDP1TSHRKMT2A
SCHEMBL15859944 0.90 ABL1 (0.46) ABL1SRC
SCHEMBL17313624 0.90 ABL1 (0.46) ABL1SRC
SCHEMBL18403121 0.84 NFE2L2 (0.47) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL17313583 0.80 ABL1 (0.48) ALDH1A1MAPTLMNACYP1A2ABL1
SCHEMBL17313582 0.80 ABL1 (0.48) ALDH1A1MAPTLMNACYP1A2ABL1
SCHEMBL17420212 0.78 ABL1 (0.57) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL1773116 0.76 CYP1A2 (0.42) NPBWR1ALDH1A1TDP1CYP1A2ABL1
SCHEMBL15860021 0.76 HTT (0.56) ALDH1A1KMT2AMAPTHTTL3MBTL1
SCHEMBL17420233 0.76 ABL1 (0.55) TSHRKMT2AMEN1MAPTLMNA

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-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-9006457-B2 Reactive ionic liquids BASF SE (DE) 2015-04-14 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-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS MAP2K2, MAP2K5, MAP2K3 NPBWR1 4145/4885ALDH1A1 2782/4885TDP1 1258/4885

“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.