SCHEMBL4987284

SCHEMBL4987284

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
HPGDS O60760 1/20 0.39
OXTR P30559 2/20 0.38
AVPR1A P37288 1/20 0.38
GABRA5 P31644 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R2 O00459 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3R5 Q8WYR1 1/20 0.37
PIK3R3 Q92569 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NTRK1 P04629 1/20 0.36

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 0.90 HPGDS (0.40) SMN1; SMN2L3MBTL1KMT2AMEN1ABCG2
SCHEMBL4988267 0.87 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1KMT2AMEN1ABCG2
SCHEMBL4984484 0.86 PTGS2 (0.48) SMN1; SMN2L3MBTL1KMT2AMEN1ABCG2
SCHEMBL4993626 0.86 L3MBTL1 (0.37) SMN1; SMN2L3MBTL1KMT2AMEN1ABCG2
SCHEMBL4982026 0.86 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1KMT2AKDM4E
SCHEMBL5784589 0.86 SMN1; SMN2 (0.63) SMN1; SMN2L3MBTL1KMT2AMEN1KDM4E
SCHEMBL4990652 0.86 HPGDS (0.40) SMN1; SMN2L3MBTL1KMT2AMEN1ABCG2
SCHEMBL4987515 0.85 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1KMT2AMEN1ABCG2
SCHEMBL4982122 0.84 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1KMT2AMEN1ABCG2
SCHEMBL5785036 0.84 PIK3CD (0.42) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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 5 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
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R SMN1; SMN2 3713/4885L3MBTL1 4631/4885KMT2A 3245/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 SMN1; SMN2 3027/4885L3MBTL1 4745/4885KMT2A 4143/4885

“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.