SCHEMBL4989843

SCHEMBL4989843

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSPO P30536 1/20 0.36
OXTR P30559 7/20 0.35
AVPR1A P37288 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SMO Q99835 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4992350 0.92 TSPO (0.35) ALDH1A1TSPOOXTRAVPR1AKDM4E
SCHEMBL4987515 0.88 SMN1; SMN2 (0.40) ALDH1A1TSPOOXTRAVPR1AKDM4E
SCHEMBL5786710 0.84 KMT2A (0.45) ALDH1A1OXTRKDM4EHSD17B10L3MBTL1
SCHEMBL4987250 0.83 BRD4 (0.42) ALDH1A1
SCHEMBL4990555 0.82 MEN1 (0.38) IRAK4SMOMEN1NPC1RAB9A
SCHEMBL4988154 0.82 PIK3CA (0.47) LMNAALDH1A1KDM4EHSD17B10MEN1
SCHEMBL5527776 0.82 MALT1 (0.45) ALDH1A1TSPOOXTRAVPR1AKDM4E
SCHEMBL4982105 0.81 SMO (0.38) LMNAALDH1A1IRAK4SMOMEN1
SCHEMBL5784079 0.81 PIK3CD (0.37) ALDH1A1
SCHEMBL5781022 0.81 HPGD (0.38) ALDH1A1

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 LMNA 4633/4885ALDH1A1 185/4885TSPO 1702/4885

“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.