SCHEMBL4984634

SCHEMBL4984634

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 4/20 0.36
SMO Q99835 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
EGFR P00533 1/20 0.34
BTK Q06187 1/20 0.34
AR P10275 1/20 0.34
PIK3CA P42336 2/20 0.33
ACSS2 Q9NR19 1/20 0.33
PDK2 Q15119 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
ROCK2 O75116 1/20 0.33
P2RX7 Q99572 1/20 0.33
HPGDS O60760 1/20 0.32
PABPC1 P11940 1/20 0.32

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
SCHEMBL4990555 0.90 MEN1 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4987655 0.89 P2RX7 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4990345 0.89 ALOX5AP (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4990279 0.89 AR (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4987232 0.87 AR (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4990274 0.86 MEN1 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4984731 0.86 RAB9A (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4990652 0.85 HPGDS (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4986980 0.85 MEN1 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4990231 0.84 MEN1 (0.42) MEN1KMT2ANPC1RAB9ASMN1; 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 MEN1 2370/4885KMT2A 3245/4885NPC1 3524/4885

“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.