SCHEMBL13855348

SCHEMBL13855348

COc1ccc(-n2nc(C(C)=O)cc2-c2ccccn2)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
SLC16A3 O15427 2/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
SLC16A1 P53985 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
DCTPP1 Q9H773 5/20 0.36
KLK3 P07288 1/20 0.35
RPA1 P27694 1/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 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
SCHEMBL2914146 0.91 RPA1 (0.45) ALDH1A1TSHRSLC16A3SLC16A1RPA1
SCHEMBL2914740 0.90 GRM5 (0.40) ALDH1A1TSHRSLC16A3SLC16A1DCTPP1
SCHEMBL2915785 0.85 ADORA2A (0.42) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL5532056 0.85 CNR1 (0.42) ALDH1A1TSHRSLC16A3SLC16A1L3MBTL1
SCHEMBL13855350 0.85 ALDH1A1 (0.40) ALDH1A1SLC16A3BRD4BRD2BRD3
SCHEMBL2918205 0.84 CYP2C9 (0.41) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL5533970 0.84 SLC16A3 (0.37) ALDH1A1TSHRSLC16A3SLC16A1DCTPP1
SCHEMBL5531604 0.84 HSD17B10 (0.35) ALDH1A1TSHRSLC16A3SLC16A1DCTPP1
SCHEMBL2921476 0.84 CFTR (0.45) ALDH1A1L3MBTL1
SCHEMBL2919454 0.84 MGLL (0.46) ALDH1A1TSHRHPGDL3MBTL1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137600-A1 Antiplatelet agent and process for producing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-05-28 US 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-20090137600-A1 Antiplatelet agent and process for producing the same PFKP, GP6, PF4 ALDH1A1 573/4885TSHR 2922/4885SLC16A3 4495/4885

“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.