SCHEMBL4984731

SCHEMBL4984731

COc1ccc(-n2nc(C(=O)NC(C)(C)C)nc2-c2ccc(NC(C)=O)cn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
PABPC1 P11940 2/20 0.39
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
AR P10275 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 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
SCHEMBL4988316 0.90 RAB9A (0.45) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4987655 0.88 P2RX7 (0.39) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4990555 0.88 MEN1 (0.38) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4990231 0.88 MEN1 (0.42) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4984634 0.86 MEN1 (0.37) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4990279 0.86 AR (0.37) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4987232 0.84 AR (0.40) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4990274 0.84 MEN1 (0.38) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4990652 0.83 HPGDS (0.40) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4986980 0.83 MEN1 (0.38) RAB9AKMT2AMEN1NPC1SMN1; SMN2

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 RAB9A 2660/4885KMT2A 3245/4885MEN1 2370/4885

“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.