SCHEMBL4990652

SCHEMBL4990652

COc1ccc(-n2nc(C(=O)NC(C)(C)C)nc2-c2ccccn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
IRAK4 Q9NWZ3 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NTRK1 P04629 1/20 0.36
PTGS2 P35354 1/20 0.35
ABCB1 P08183 1/20 0.35
ACSS2 Q9NR19 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
SCHEMBL4987389 0.90 HPGDS (0.37) HPGDSSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4990363 0.89 ALDH1A1 (0.39) HPGDSSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4987004 0.88 KMT2A (0.39) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL4984582 0.88 ATM (0.39) SMN1; SMN2NPC1RAB9AKMT2AHPGD
SCHEMBL4990555 0.87 MEN1 (0.38) HPGDSSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4984484 0.87 PTGS2 (0.48) HPGDSSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4984437 0.87 HPGDS (0.40) HPGDSSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4986980 0.86 MEN1 (0.38) HPGDSSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4987284 0.86 SMN1; SMN2 (0.45) HPGDSSMN1; SMN2MEN1KMT2AABCG2
SCHEMBL4984634 0.85 MEN1 (0.37) HPGDSSMN1; SMN2MEN1NPC1RAB9A

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 HPGDS 52/4885SMN1; SMN2 3713/4885MEN1 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.