SCHEMBL4984484

SCHEMBL4984484

COc1ccc(-n2nc(C(=O)NC(C)C)nc2-c2ccccn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
GABRA5 P31644 3/20 0.42
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGDS O60760 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NTRK1 P04629 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
NR3C1 P04150 1/20 0.37
SMO Q99835 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4984437 0.88 HPGDS (0.40) GABRA5SMN1; SMN2HPGDSMEN1NPC1
SCHEMBL4990652 0.87 HPGDS (0.40) PTGS2SMN1; SMN2HPGDSMEN1NPC1
SCHEMBL4987284 0.86 SMN1; SMN2 (0.45) GABRA5SMN1; SMN2HPGDSMEN1KMT2A
SCHEMBL4987308 0.86 PTGS2 (0.48) PTGS2GABRA5SMN1; SMN2MEN1KMT2A
SCHEMBL4990363 0.85 ALDH1A1 (0.39) PTGS2GABRA5SMN1; SMN2HPGDSMEN1
SCHEMBL4987389 0.83 HPGDS (0.37) PTGS2GABRA5SMN1; SMN2HPGDSMEN1
SCHEMBL4993626 0.82 L3MBTL1 (0.37) GABRA5SMN1; SMN2HPGDSMEN1NPC1
SCHEMBL4984385 0.81 RIPK1 (0.39) ABCG2ALDH1A1
SCHEMBL5785036 0.80 PIK3CD (0.42) ALDH1A1IRAK4
SCHEMBL4987578 0.79 ALDH1A1 (0.39) GABRA5SMN1; SMN2HPGDSALDH1A1CYP2C9

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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 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 (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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R PTGS2 4/4885GABRA5 773/4885RECQL 2923/4885

“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.