SCHEMBL827951

SCHEMBL827951

COCc1cc(C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.48
AURKB Q96GD4 5/20 0.48
INCENP Q9NQS7 5/20 0.48
UHRF1 Q96T88 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOA P21397 2/20 0.42

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
SCHEMBL28056162 0.81 MAOA (0.44) SYKAURKBINCENPCCR1CCR5
SCHEMBL10227211 0.80 UHRF1 (0.43) SYKAURKBINCENPUHRF1CCR1
SCHEMBL12017390 0.80 UHRF1 (0.43) SYKAURKBINCENPUHRF1CCR1
SCHEMBL25769604 0.79 UHRF1 (0.42) SYKAURKBINCENPUHRF1CCR1
SCHEMBL30932457 0.78 UHRF1 (0.54) SYKAURKBINCENPUHRF1CCR1
SCHEMBL2089511 0.78 S1PR4 (0.46) CCR1NOS3NOS1NOS2KDM4E
SCHEMBL13900847 0.78 NOS3 (0.52) SYKAURKBINCENPNOS3NOS1
SCHEMBL17967618 0.78 NOS3 (0.38) SYKNOS3NOS1NOS2KDM4E
SCHEMBL22912501 0.78 SYK (0.38) SYKNOS3NOS1NOS2KDM4E
SCHEMBL3307860 0.78 NOS2 (0.62) SYKCCR1CCR5CCR8NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229063-A1 TRANSGENIC CORN EVENT ZM_CSM63715 AND METHODS FOR DETECTION AND USES THEREOF MONSANTO TECHNOLOGY LLC (US) 2024-07-11 US disclosed
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-09-14 US disclosed
EP-4230620-A1 SUBSTITUTED N-AMINO-N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2023-08-23 EP disclosed
WO-2021013800-A1 SUBSTITUTED N-PHENYL-N-AMINOUARCILS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed
WO-2021013799-A1 SUBSTITUTED N-PHENYL URACILS, SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed
US-20200121677-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (US) 2020-04-23 US disclosed
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 US disclosed
EP-2483263-B1 HETEROCYCLIC COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
US-10005786-B2 Substituted 6,7-dihydropyrazolo[1,5-a]pyrazines as negative allosteric modulators of MGLUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-10005786-B2 Substituted 6,7-dihydropyrazolo[1,5-a]pyrazines as negative allosteric modulators of MGLUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-20110065683-A1 TRISUBSTITUTED PYRAZOLES AS ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-03-17 US disclosed
US-20110065683-A1 TRISUBSTITUTED PYRAZOLES AS ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-03-17 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
WO-2008153858-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-12-18 WO disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 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 (9 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 SYK 423/4885AURKB 681/4885INCENP 4592/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 SYK 723/4885AURKB 543/4885INCENP 4521/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 SYK 4169/4885AURKB 2389/4885INCENP 2808/4885
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 SYK 4656/4885AURKB 4140/4885INCENP 4679/4885
US-10005786-B2 Substituted 6,7-dihydropyrazolo[1,5-a]pyrazines as negative allosteric modulators of MGLUR2 receptors GRM2, GRM5, GRM1 SYK 4659/4885AURKB 4115/4885INCENP 4703/4885
US-20110065683-A1 TRISUBSTITUTED PYRAZOLES AS ACETYLCHOLINE RECEPTOR MODULATORS CHRNA1, CHRM3, CHRNA5 SYK 3522/4885AURKB 2201/4885INCENP 3691/4885
US-20200121677-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 SYK 4656/4885AURKB 4140/4885INCENP 4679/4885
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 SYK 4753/4885AURKB 2823/4885INCENP 4421/4885
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 SYK 3101/4885AURKB 2742/4885INCENP 4327/4885

“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.