SCHEMBL4984496

SCHEMBL4984496

COc1ccc(-n2nc(C(=O)O)nc2-c2cnc(C)cn2)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
OXTR P30559 11/20 0.40
AVPR1A P37288 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3R5 Q8WYR1 1/20 0.35
PIK3R3 Q92569 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
SCHEMBL4989936 0.87 KMT2A (0.45) SMN1; SMN2OXTRAVPR1AL3MBTL1KMT2A
SCHEMBL4987515 0.86 SMN1; SMN2 (0.40) SMN1; SMN2OXTRAVPR1AL3MBTL1CHRNB2
SCHEMBL4988267 0.85 SMN1; SMN2 (0.40) SMN1; SMN2OXTRAVPR1AL3MBTL1TDP1
SCHEMBL4990274 0.85 MEN1 (0.38) SMN1; SMN2OXTRAVPR1AMEN1KMT2A
SCHEMBL4982122 0.85 SMN1; SMN2 (0.41) SMN1; SMN2OXTRAVPR1AL3MBTL1TDP1
SCHEMBL14186820 0.84 OXTR (0.41) SMN1; SMN2OXTRAVPR1AL3MBTL1MEN1
SCHEMBL4987571 0.84 HTT (0.40) SMN1; SMN2OXTRAVPR1AL3MBTL1TDP1
SCHEMBL4984606 0.84 SMO (0.38) SMN1; SMN2OXTRAVPR1AMEN1KMT2A
SCHEMBL4984447 0.84 OXTR (0.41) SMN1; SMN2OXTRAVPR1AL3MBTL1MEN1
SCHEMBL4987284 0.83 SMN1; SMN2 (0.45) SMN1; SMN2OXTRAVPR1AL3MBTL1MEN1

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 SMN1; SMN2 3713/4885OXTR 2187/4885AVPR1A 548/4885

“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.