SCHEMBL10067121

SCHEMBL10067121

CCc1cccc2c(N(C)C)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CA2 P00918 1/20 0.50
▸ CHEK1 O14757 1/20 0.48
▸ NEK2 P51955 1/20 0.48
▸ LIMK1 P53667 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ EDNRA P25101 4/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ EP300 Q09472 1/20 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
SCHEMBL11893013 0.88 CHEK1 (0.53) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL22080283 0.84 CYP1A2 (0.46) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL13486826 0.83 CHEK1 (0.48) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL3238496 0.82 GABRA1 (0.57) CYP1A2CYP2C19HTTGABRA1GABRB2
SCHEMBL8720110 0.82 CHEK1 (0.65) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL27019222 0.82 GABRA1 (0.40) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL12703140 0.82 CHEK1 (0.47) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL14196713 0.80 CYP1A2 (0.46) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL31644190 0.80 TDP1 (0.56) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL13561468 0.79 CHEK1 (0.44) CYP1A2CYP2C19HTTHIF1ATDP1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845715-B2 — — 2023-12-19 — — US disclosed
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2023-10-05 — — US disclosed
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-08-08 — — US disclosed
US-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2023-05-11 — — US disclosed
WO-2023063884-A2 GENERATION OF CHIRAL SULFINATE ESTERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-04-20 — — WO disclosed
US-20220411390-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS WISCONSIN ALUMNI RES FOUND (US) 2022-12-29 — — US disclosed
US-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2021-10-14 — — US disclosed
WO-2021183970-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-09-16 — — WO disclosed
US-10894777-B2 TG2 inhibitor piperazine compounds and uses thereof UNIVERSITY OF OTTAWA (CA) 2021-01-19 — — US disclosed
WO-2017179018-A1 TG2 INHIBITOR COMPOUNDS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2017-10-19 — — WO disclosed
WO-2016131098-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME THE UNIVERSITY OF QUEENSLAND (AU) 2016-08-25 — — WO disclosed
US-20120028915-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES THE SCRIPPS RESEACH INSTITUTE (US) 2012-02-02 — — US disclosed
US-7989423-B2 6″-amino-6″-deoxygalactosylceramides THE SCRIPPS RESEARCH INSTITUTE (US) 2011-08-02 — — US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 — — US disclosed
US-20100137231-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2010-06-03 — — US disclosed
US-7288571-B2 Thyroid receptor ligands and method II KARO BIO AB (SE) 2007-10-30 — — 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 (10 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-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 CYP1A2 3599/4885CYP2C19 4404/4885HTT 4360/4885
US-11845715-B2 — NLRP3, PYCARD, NOD1 CYP1A2 4028/4885CYP2C19 4158/4885HTT 543/4885
US-20100137231-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES FUT6, GALNT6, ST6GAL1 CYP1A2 3652/4885CYP2C19 4091/4885HTT 3055/4885
US-20220411390-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS AHCYL1, EBPL, AIP CYP1A2 3568/4885CYP2C19 4566/4885HTT 2151/4885
US-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 CYP1A2 3491/4885CYP2C19 4287/4885HTT 4230/4885
US-20120028915-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES FUT6, GALNT6, ST6GAL1 CYP1A2 3652/4885CYP2C19 4091/4885HTT 3055/4885
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 CYP1A2 3491/4885CYP2C19 4287/4885HTT 4230/4885
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors MAPK1, MAPK8, MAPK4 CYP1A2 3491/4885CYP2C19 4287/4885HTT 4230/4885
US-10894777-B2 TG2 inhibitor piperazine compounds and uses thereof TGM2, TGM1, TGM3 CYP1A2 1886/4885CYP2C19 1550/4885HTT 1616/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 CYP1A2 1772/4885CYP2C19 1899/4885HTT 2793/4885

“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.

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