SCHEMBL11956367

SCHEMBL11956367

CNC(=O)c1cnc(C)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.62
POLB P06746 2/20 0.42
PKM P14618 2/20 0.42
MAPK14 Q16539 5/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK2 P49760 2/20 0.40
CLK3 P49761 2/20 0.40
DYRK1A Q13627 2/20 0.40
FPR2 P25090 1/20 0.40
GRM5 P41594 1/20 0.40
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LCK P06239 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL14164230 0.86 HCAR2 (0.64) HCAR2CLK2CLK3DYRK1AFPR2
SCHEMBL1881230 0.82 HCAR2 (0.60) HCAR2POLBKDM4EMAPTCLK2
SCHEMBL15296847 0.81 HCAR2 (0.50) HCAR2POLBMAPK14MAPTCLK2
SCHEMBL27165761 0.81 HCAR2 (0.63) HCAR2MAPK14CLK2CLK3DYRK1A
SCHEMBL11650054 0.80 USP2 (0.46) HCAR2POLBPKMMAPK14HPGD
SCHEMBL15296856 0.79 HCAR2 (0.47) HCAR2RAB9A
SCHEMBL27858708 0.79 HCAR2 (0.72) HCAR2MAPK14MAPTCLK2CLK3
SCHEMBL18236191 0.78 RAB9A (0.58) POLBPKMMAPK14HPGDKDM4E
SCHEMBL294099 0.78 POLB (0.41) HCAR2POLBPKMMAPK14HPGD
SCHEMBL3401366 0.78 NOS1 (0.42) HCAR2POLBPKMMAPK14HPGD

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-20260109698-A1 MALT-1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2026-04-23 US disclosed
US-20250051327-A1 MALT-1 MODULATORS RECURSION PHARMACEUTICALS, INC. 2025-02-13 US disclosed
WO-2024050370-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-03-07 WO disclosed
EP-3419974-B1 PROCESS FOR THE SEPARATION OF ENANTIOMERS OF PIPERAZINE DERIVATIVES ASCENEURON SA (CH) 2021-05-05 EP disclosed
EP-3419976-B1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON SA (CH) 2021-04-07 EP disclosed
WO-2017144635-A1 PROCESS FOR THE SEPARATION OF ENANTIOMERS OF PIPERAZINE DERIVATIVES ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
WO-2017144637-A1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
WO-2017013593-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2017-01-26 WO disclosed
US-9102667-B2 N-arylaminomethylene benzothiophenones for treatment of cardiovascular disease FORSCHUNGSVERBUND BERLIN E.V. (DE) 2015-08-11 US disclosed
US-9102667-B2 N-arylaminomethylene benzothiophenones for treatment of cardiovascular disease FORSCHUNGSVERBUND BERLIN E.V. (DE) 2015-08-11 US disclosed
US-20130289057-A1 N-ARYLAMINOMETHYLENE BENZOTHIOPHENONES FOR TREATMENT OF CARDIOVASCULAR DISEASE FORSCHUNGSVERBUND BERLIN E.V. (DE) 2013-10-31 US disclosed
US-20130289057-A1 N-ARYLAMINOMETHYLENE BENZOTHIOPHENONES FOR TREATMENT OF CARDIOVASCULAR DISEASE FORSCHUNGSVERBUND BERLIN E.V. (DE) 2013-10-31 US disclosed
WO-2012098172-A2 N-ARYLAMINOMETHYLENE BENZOTHIOPHENONES FOR TREATMENT OF CARDIOVASCULAR DISEASE Max-Delbrück-Centrum für Molekulare Medizin (DE) 2012-07-26 WO 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 (4 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-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 HCAR2 754/4885POLB 661/4885PKM 3376/4885
US-20130289057-A1 N-ARYLAMINOMETHYLENE BENZOTHIOPHENONES FOR TREATMENT OF CARDIOVASCULAR DISEASE TNNT2, NAT1, PAH HCAR2 2202/4885POLB 2280/4885PKM 487/4885
US-20250051327-A1 MALT-1 MODULATORS MALT1, BCL6, BCL9 HCAR2 3504/4885POLB 4627/4885PKM 3572/4885
US-20260109698-A1 MALT-1 MODULATORS MALT1, BCL6, BCL3 HCAR2 3572/4885POLB 4609/4885PKM 4128/4885

“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.