SCHEMBL4044205

SCHEMBL4044205

[c]1n[nH]c(-c2cccc(-c3ccccc3)n2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ASIC3 Q9UHC3 1/20 0.44
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL4049325 0.83 CYP1A2 (0.41) RAB9AMEN1KMT2APOLBALDH1A1
SCHEMBL796065 0.81 NR1H2 (0.42) RAB9AMEN1KMT2APOLBALDH1A1
SCHEMBL4046873 0.80 KMT2A (0.43) RAB9AMEN1KMT2APOLBMAPT
SCHEMBL4047522 0.79 PIM1 (0.32)
SCHEMBL4051736 0.77 NR1H2 (0.39) RAB9AMEN1KMT2APOLBALDH1A1
SCHEMBL4048514 0.76 GP6 (0.40) RAB9AMEN1KMT2APOLBALDH1A1
SCHEMBL4047399 0.76 ASIC3 (0.47) RAB9AMEN1KMT2AASIC3POLB
SCHEMBL58442 0.76 MEN1 (1.00) RAB9AMEN1KMT2AASIC3POLB
SCHEMBL180653 0.74 NPC1 (0.49) RAB9AKMT2APOLBALDH1A1HPGD
SCHEMBL4046862 0.74 MEN1 (0.55) RAB9AMEN1KMT2AASIC3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 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 (2 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R RAB9A 2657/4885MEN1 207/4885KMT2A 2946/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R RAB9A 2739/4885MEN1 198/4885KMT2A 2851/4885

“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.