SCHEMBL13940968

SCHEMBL13940968

CSc1cccnc1CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 1/20 0.35
CHRNA7 P36544 1/20 0.35
ADRB2 P07550 1/20 0.34
CXCR4 P61073 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
DPP4 P27487 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
POLB P06746 1/20 0.32
HRH1 P35367 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
Hydrochloric Acid SCHEMBL6959840 0.98 L3MBTL1 (0.41) L3MBTL1GRM5ALDH1A1CHRNA7ADRB2
SCHEMBL3644255 0.83 L3MBTL1 (0.49) L3MBTL1GRM5ALDH1A1CXCR4LMNA
SCHEMBL13095210 0.83 ALDH1A1 (0.38) L3MBTL1ALDH1A1ADRB2NOS3NOS1
SCHEMBL24056365 0.81 AOC3 (0.42) L3MBTL1ALDH1A1ADRB2NOS3NOS1
SCHEMBL31299270 0.80 ALDH1A1 (0.53) L3MBTL1GRM5ALDH1A1CXCR4LMNA
Hydrochloric Acid SCHEMBL7365114 0.79 AOC3 (0.44) L3MBTL1ALDH1A1ADRB2NOS3NOS1
SCHEMBL14008798 0.79 ADRA2A (0.34) L3MBTL1ALDH1A1ADRB2CXCR4NOS3
SCHEMBL3081194 0.79 AOC3 (0.43) L3MBTL1GRM5ALDH1A1ADRB2CXCR4
SCHEMBL30023602 0.79 ADRA2A (0.34) L3MBTL1ALDH1A1ADRB2CXCR4NOS3
Hydrochloric Acid SCHEMBL4612343 0.78 ADRA2A (0.36) L3MBTL1ALDH1A1ADRB2CXCR4PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192683-A1 FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF GUANGZHOU FERMION TECHNOLOGY CO., LTD. (CN) 2023-06-22 US disclosed
WO-2021233427-A1 FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF 广州费米子科技有限责任公司 2021-11-25 WO disclosed
US-7482357-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 US disclosed
US-7482357-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 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-20230192683-A1 FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SSTR4, SSTR3, NPY4R L3MBTL1 4879/4885GRM5 1167/4885ALDH1A1 3727/4885

“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.