SCHEMBL4611591

SCHEMBL4611591

CC(C)Sc1cccnc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.38
ALDH1A1 P00352 8/20 0.36
HPGD P15428 7/20 0.36
CYP11B1 P15538 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
XDH P47989 1/20 0.33
MPO P05164 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL6953445 0.79 GRM5 (0.42) PLCG1ALDH1A1HPGDCYP11B1SMN1; SMN2
SCHEMBL24058185 0.78 XDH (0.36) PLCG1ALDH1A1HPGDCYP11B1SMN1; SMN2
SCHEMBL7365422 0.75 HPGD (0.40) PLCG1ALDH1A1HPGDCYP11B1POLB
SCHEMBL3086616 0.75 PLCG1 (0.44) PLCG1ALDH1A1HPGDCYP11B1SMN1; SMN2
SCHEMBL10297562 0.73 L3MBTL1 (0.34) ALDH1A1HPGDNPC1KDM4EMEN1
SCHEMBL5700318 0.72 ADRA2A (0.33) ALDH1A1POLBKDM4EL3MBTL1ADRA2A
SCHEMBL5700039 0.72 TRIM24 (0.38) CYP11B1RAB9APOLBL3MBTL1ADRA2A
SCHEMBL10094206 0.72 HPGD (0.41) PLCG1ALDH1A1HPGDCYP11B1SMN1; SMN2
SCHEMBL5700533 0.72 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL18485272 0.72 NOS3 (0.47) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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 14 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
CN-115991703-A Ring-fused compound, preparation method thereof, pharmaceutical composition and application 广州费米子科技有限责任公司 2023-04-21 CN disclosed
EP-4155305-A1 FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF Guangzhou Fermion Technology Co., Ltd. (CN) 2023-03-29 EP disclosed
CN-113717167-B Fused ring compound, preparation method thereof, pharmaceutical composition and application 广州费米子科技有限责任公司 2022-12-02 CN disclosed
CN-113717167-A Fused ring compound, preparation method thereof, pharmaceutical composition and application 广州费米子科技有限责任公司 2021-11-30 CN 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
WO-2014010990-A1 NOVEL PYRIDINE DERIVATIVES AND METHOD FOR PREPARATION OF INTERMEDIATE COMPOUND FOR PRODUCING SULFONYLUREA HERBICIDES USING THE SAME LG LIFE SCIENCES LTD. (KR) 2014-01-16 WO disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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 PLCG1 2967/4885ALDH1A1 2963/4885HPGD 2009/4885
US-20230192683-A1 FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SSTR4, SSTR3, NPY4R PLCG1 2284/4885ALDH1A1 3727/4885HPGD 3345/4885

“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.