Sugi Predict

Sugi Predict / Compounds / SCHEMBL14008798

SCHEMBL14008798

SCHEMBL14008798

CC(C)Sc1cccnc1CN

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CXCR4 P61073 5/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 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
SCHEMBL30023602 1.00 ADRA2A (0.34) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL4612343 0.98 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL19943669 0.82 KDM4E (0.34) ALDH1A1PRMT5WDR77
SCHEMBL13940968 0.79 L3MBTL1 (0.42) ADRA1DADRA1AADRA1BALDH1A1L3MBTL1
SCHEMBL24057956 0.79 MAOA (0.37) ALDH1A1L3MBTL1CXCR4ADRB2
SCHEMBL13095210 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL1PRMT5WDR77ADRB2
Hydrochloric Acid SCHEMBL30023372 0.78 MAOA (0.36) ALDH1A1L3MBTL1CXCR4
Hydrochloric Acid SCHEMBL25280262 0.78 MAOA (0.36) ALDH1A1L3MBTL1CXCR4
Hydrochloric Acid SCHEMBL6959840 0.78 L3MBTL1 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL24056365 0.76 AOC3 (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 5 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
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-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 — — US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — 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 (2 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 ADRA2A 1353/4885ADRA2B 1908/4885ADRA2C 2729/4885
US-20230192683-A1 FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SSTR4, SSTR3, NPY4R ADRA2A 713/4885ADRA2B 474/4885ADRA2C 581/4885

“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.