SCHEMBL4800221

SCHEMBL4800221

Cc1ccccc1Nc1c(C)cccc1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.55
PTGS2 P35354 2/20 0.55
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.46
MAPK10 P53779 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL1921293 0.92 RAPGEF4 (0.57) RAPGEF4PTGS2MAPTHTTMEN1
SCHEMBL12319851 0.87 PTGS2 (0.45) RAPGEF4PTGS2MAPTHTTMEN1
SCHEMBL23193120 0.84 PTGS2 (0.50) RAPGEF4PTGS2MAPTHTTMEN1
SCHEMBL17858123 0.84 RAPGEF4 (0.71) RAPGEF4MAPTHTTMEN1KMT2A
SCHEMBL183017 0.84 HTT (0.59) PTGS2MAPTHTTMEN1KMT2A
SCHEMBL29511793 0.84 HTT (0.59) PTGS2MAPTHTTMEN1KMT2A
SCHEMBL22923202 0.83 MAPT (0.51) MAPTHTTMEN1KMT2AL3MBTL1
SCHEMBL22814380 0.83 RAPGEF4 (0.48) RAPGEF4MAPTHTTMEN1KMT2A
SCHEMBL20916302 0.82 MAPT (0.55) RAPGEF4PTGS2MAPTHTTMEN1
SCHEMBL2760393 0.82 PTGS2 (0.54) RAPGEF4PTGS2MAPTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
CN-101184711-A Nucleophilic heterocyclic carbene derivatives of pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-05-21 CN claimed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO claimed
WO-2024071860-A1 INK COMPOSITION, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND MANUFACTURING METHOD THEREFOR 주식회사 엘지화학 2024-04-04 WO disclosed
US-20230276708-A1 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-08-31 US disclosed
EP-3960744-A1 CYCLOALKANE-CONDENSED POLYCYCLIC AROMATIC COMPOUND Kwansei Gakuin Educational Foundation (JP) 2022-03-02 EP disclosed
EP-3346334-B1 USE OF A COMPOSITION FOR FORMING A PHOTORESIST UNDERLAYER FILM FOR LITHOGRAPHY, PHOTORESIST UNDERLAYER FILM FOR LITHOGRAPHY AND METHOD FOR PRODUCING SAME, AND RESIST PATTERN FORMING METHOD MITSUBISHI GAS CHEMICAL CO (JP) 2020-08-12 EP disclosed
EP-3613504-A1 PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS Johnson Matthey Public Limited Company (GB) 2020-02-26 EP disclosed
EP-2585216-B1 PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS JOHNSON MATTHEY PLC (GB) 2019-11-20 EP disclosed
EP-3346334-A1 MATERIAL FOR FORMING UNDERLAYER FILMS FOR LITHOGRAPHY, COMPOSITION FOR FORMING UNDERLAYER FILMS FOR LITHOGRAPHY, UNDERLAYER FILM FOR LITHOGRAPHY AND METHOD FOR PRODUCING SAME, AND RESIST PATTERN FORMING METHOD Mitsubishi Gas Chemical Company, Inc. (JP) 2018-07-11 EP disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP disclosed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US disclosed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO disclosed
EP-0276980-B1 CHROMOGENIC FLUORAN COMPOUNDS ESCO Company Limited Partnership (US) 1992-09-23 EP disclosed
EP-0276980-A2 Chromogenic fluoran compounds ESCO Company Limited Partnership (US) 1988-08-03 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 (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-20230276708-A1 Polycyclic aromatic compound ACVR1B, XDH, AHR RAPGEF4 4718/4885PTGS2 3317/4885MAPT 4577/4885
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 RAPGEF4 3146/4885PTGS2 1273/4885MAPT 3877/4885

“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.