SCHEMBL4990345

SCHEMBL4990345

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SMO Q99835 1/20 0.36
PTGS2 P35354 3/20 0.36
OXTR P30559 6/20 0.35
AVPR1A P37288 3/20 0.35
PIK3CA P42336 3/20 0.34
MTOR P42345 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AR P10275 1/20 0.34
NR3C1 P04150 1/20 0.33

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
SCHEMBL4990274 0.90 MEN1 (0.38) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4984634 0.89 MEN1 (0.37) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL14186838 0.88 FEN1 (0.42) ALOX5APFEN1SMN1; SMN2PTGS2
SCHEMBL4990555 0.86 MEN1 (0.38) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4987004 0.85 KMT2A (0.39) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4986980 0.85 MEN1 (0.38) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4990279 0.85 AR (0.37) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4987655 0.85 P2RX7 (0.39) ALOX5APFEN1MEN1NPC1RAB9A
SCHEMBL4990652 0.83 HPGDS (0.40) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4987232 0.83 AR (0.40) MEN1NPC1RAB9AKMT2ASMN1; 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 2 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
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 ALOX5AP 173/4885FEN1 2805/4885MEN1 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.