SCHEMBL204007

SCHEMBL204007

Cc1nc(-c2ccc(C#N)cc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 1.00
CDC25A P30304 1/20 0.54
CDC25B P30305 1/20 0.54
CDC25C P30307 1/20 0.54
KDM4E B2RXH2 3/20 0.53
POLB P06746 2/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 2/20 0.52
RECQL P46063 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ESR2 Q92731 1/20 0.51
VCP P55072 1/20 0.51
AR P10275 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50

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
SCHEMBL2809395 0.86 GAA (0.74) GAACDC25ACDC25BCDC25CKDM4E
SCHEMBL2263142 0.82 NPC1 (0.76) GAAKDM4EPOLBRAB9AMAPT
SCHEMBL6238615 0.81 GAA (0.69) GAACDC25ACDC25BCDC25CKDM4E
SCHEMBL10094734 0.80 GAA (0.67) GAAKDM4EPOLBHTTMAPT
SCHEMBL28672996 0.80 GAA (0.67) GAACDC25ACDC25BCDC25CKDM4E
SCHEMBL128355 0.80 GAA (0.67) GAACDC25ACDC25BCDC25CKDM4E
SCHEMBL2615402 0.79 GAA (0.65) GAAKDM4EPOLBHTTRAB9A
SCHEMBL1806528 0.79 GAA (0.65) GAACDC25ACDC25BCDC25CKDM4E
SCHEMBL21663924 0.78 GAA (0.64) GAA
SCHEMBL8337622 0.78 GAA (0.64) GAAKDM4EPOLBMAPTRECQL

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111728837-A Exercise massage belt capable of rubbing abdomen and chest and throwing butterfly sleeves and preparation method thereof 万贤能 2020-10-02 CN claimed
US-20250179008-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2025-06-05 US disclosed
CN-111728837-A Exercise massage belt capable of rubbing abdomen and chest and throwing butterfly sleeves and preparation method thereof 万贤能 2020-10-02 CN disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 WO disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
US-5047417-A Butenoic or propenoic acid derivatives EISAI CO. LTD. (JP) 1991-09-10 US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 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 (3 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 GAA 4553/4885CDC25A 3229/4885CDC25B 3454/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 GAA 3241/4885CDC25A 909/4885CDC25B 1444/4885
US-20250179008-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 GAA 4454/4885CDC25A 639/4885CDC25B 1076/4885

“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.