SCHEMBL1758823

SCHEMBL1758823

N#Cc1cccc(CO)n1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.43
HSD11B1 P28845 1/20 0.41
CCR1 P32246 1/20 0.40
CTSK P43235 2/20 0.38
NOTUM Q6P988 1/20 0.37
CTSS P25774 2/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
SRC P12931 1/20 0.35
AHR P35869 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
SCHEMBL21199960 0.84 HSD11B1 (0.44) SOS2HSD11B1CTSKCTSSPRMT5
SCHEMBL2962979 0.81 KCNH2 (0.43) SOS2HSD11B1CTSKCTSSAHR
SCHEMBL378968 0.79 CCR1 (0.40) SOS2CCR1CTSKCTSSPRMT5
SCHEMBL3760158 0.79 IRAK4 (0.49) SOS2CTSKCTSSPRMT5WDR77
SCHEMBL31732088 0.79 CCR1 (0.40) HSD11B1CCR1NOTUM
SCHEMBL14732983 0.79 KCNH2 (0.44) SOS2CTSKCTSS
SCHEMBL947116 0.79 CCR1 (0.40) HSD11B1CCR1NOTUM
SCHEMBL129485 0.79 SOS2 (0.39) SOS2CTSKCTSSPRMT5WDR77
SCHEMBL9297038 0.79 SOS2 (0.39) SOS2CTSKCTSSPRMT5WDR77
SCHEMBL29561378 0.79 SOS2 (0.39) SOS2CTSKCTSSPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118978522-A Synthesis method of 2-substituted-4-hydroxy-2-thiazoline derivative 信阳师范学院 2024-11-19 CN disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 EP disclosed
WO-2022079432-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-04-21 WO disclosed
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-25 US disclosed
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
EP-3235814-B1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICALS CO (JP) 2018-12-12 EP disclosed
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA, INC. 2018-01-18 US disclosed
US-9801872-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-31 US disclosed
US-7666870-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2010-02-23 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090163477-A1 PHTHALAZINONE DERIVATIVES MAYBRIDGE LIMITED (GB) 2009-06-25 US disclosed
US-20090163477-A1 PHTHALAZINONE DERIVATIVES MAYBRIDGE LIMITED (GB) 2009-06-25 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP disclosed
US-7407957-B2 e.g. 4-[5-(piperazine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent; septic shock; ischemic injury; reperfusion injury; hemorrhagic shock; and multiple sclerosis MAYBRIDGE LIMITED (GB) 2008-08-05 US disclosed
US-7407957-B2 e.g. 4-[5-(piperazine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent; septic shock; ischemic injury; reperfusion injury; hemorrhagic shock; and multiple sclerosis MAYBRIDGE LIMITED (GB) 2008-08-05 US disclosed
US-7129233-B2 Mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-10-31 US disclosed
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ASTRAZENECA AB (SE) 2004-01-29 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 (7 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-20090163477-A1 PHTHALAZINONE DERIVATIVES PARP1, PARP2, PARP11 SOS2 2756/4885HSD11B1 266/4885CCR1 1268/4885
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ADAMTS1, ADAMTS13, ADAMTS7 SOS2 4275/4885HSD11B1 461/4885CCR1 572/4885
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 SOS2 4268/4885HSD11B1 3857/4885CCR1 573/4885
US-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 SOS2 3051/4885HSD11B1 146/4885CCR1 726/4885
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 SOS2 4268/4885HSD11B1 3857/4885CCR1 573/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 SOS2 1898/4885HSD11B1 1993/4885CCR1 1981/4885
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives BTK, LCK, TYK2 SOS2 4268/4885HSD11B1 3857/4885CCR1 573/4885

“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.