SCHEMBL2033897

SCHEMBL2033897

C[C@@H](c1ccccc1)c1nccc(N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
MPO P05164 1/20 0.35
MAPK13 O15264 3/20 0.34
MAPK12 P53778 3/20 0.34
MAPK11 Q15759 3/20 0.34
MAPK14 Q16539 3/20 0.34
TAAR1 Q96RJ0 2/20 0.34
AURKA O14965 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PRKACA P17612 1/20 0.34
ADORA2A P29274 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
LMNA P02545 1/20 0.33
NUDT1 P36639 1/20 0.33

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
SCHEMBL28170602 0.79 KMT2A (0.44) KMT2AMPOTAAR1ADORA2AHTR2C
SCHEMBL13727436 0.79 NOS3 (0.45) AURKAPRKACALMNA
SCHEMBL27367959 0.78 SLC6A2 (0.45) KMT2APOLBTAAR1ADRA2AADRA2C
SCHEMBL1829748 0.77 HRH4 (0.37) KMT2APOLBHSP90AA1ADORA2AMKNK1
SCHEMBL40028 0.75 MPO (0.36) POLBMPOAURKAHSP90AA1PRKACA
SCHEMBL27966111 0.74 KMT2A (0.40) KMT2APOLBMPOTAAR1ADORA2A
SCHEMBL28121595 0.71 POLB (0.64) KMT2APOLBAURKAHSP90AA1PRKACA
SCHEMBL4725041 0.71 TAAR1 (0.43) POLBTAAR1
SCHEMBL15651769 0.71 NUDT1 (0.46) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL17076676 0.71 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14HTR2C

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
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO claimed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 KMT2A 1147/4885POLB 1101/4885MPO 2690/4885

“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.