SCHEMBL4990274

SCHEMBL4990274

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACSS2 Q9NR19 1/20 0.36
PTGS2 P35354 2/20 0.36
SMO Q99835 1/20 0.35
PDK2 Q15119 1/20 0.35
OXTR P30559 7/20 0.35
AVPR1A P37288 3/20 0.35
AR P10275 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
PIK3CG P48736 1/20 0.34
ROCK2 O75116 1/20 0.33
HPGDS O60760 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
SCHEMBL4990345 0.90 ALOX5AP (0.40) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4984606 0.88 SMO (0.38) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4990555 0.88 MEN1 (0.38) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4987004 0.87 KMT2A (0.39) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4986980 0.87 MEN1 (0.38) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4984634 0.86 MEN1 (0.37) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4987655 0.86 P2RX7 (0.39) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4990279 0.86 AR (0.37) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4984496 0.85 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2OXTRAVPR1A
SCHEMBL4990652 0.85 HPGDS (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 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 2370/4885NPC1 3524/4885RAB9A 2660/4885

“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.