SCHEMBL84556

SCHEMBL84556

Cc1n[nH]c2ccc(C(C)C)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HTR1D P28221 2/20 0.41
CYP1A2 P05177 1/20 0.41
KIF11 P52732 1/20 0.40
HTR1B P28222 1/20 0.39
LMNA P02545 2/20 0.38
GSK3B P49841 3/20 0.38
JAK2 O60674 2/20 0.38
MAP2K4 P45985 2/20 0.37
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL22513706 0.86 JAK2 (0.51) ADORA2AADORA2BJAK2DAPK3MAP4K4
SCHEMBL16076615 0.85 KIF11 (0.47) ADORA2AADORA2BKDM4EGAAHTR1D
SCHEMBL2661889 0.81 JAK2 (0.55) KDM4EGAAHTR1DGSK3BJAK2
SCHEMBL12120600 0.81 HTR1D (0.41) KDM4EGAAHTR1DKIF11HTR1B
SCHEMBL18500493 0.81 ADORA2A (0.40) ADORA2AADORA2BKDM4ECYP1A2GSK3B
SCHEMBL21095943 0.80 HTR1D (0.40) KDM4EGAAHTR1DKIF11HTR1B
SCHEMBL28206181 0.80 HTR1D (0.43) KDM4EGAAHTR1DKIF11HTR1B
SCHEMBL14827507 0.80 HTR1D (0.40) KDM4EGAAHTR1DKIF11HTR1B
SCHEMBL14737373 0.80 HTR1D (0.40) KDM4EGAAHTR1DKIF11HTR1B
SCHEMBL21017808 0.77 HTR1D (0.38) KDM4EGAAHTR1DKIF11HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
WO-2023086483-A1 METHODS FOR PREDICTION OF TREATMENT RESPONSE IN NON-ALCOHOLIC FATTY LIVER DISEASE SAGIMET BIOSCIENCES INC. (US) 2023-05-19 WO disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-20 US disclosed
EP-3421465-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-10-26 EP disclosed
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 EP disclosed
EP-3743420-B1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2021-12-15 EP disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP 2013-09-12 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 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 (11 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 ADORA2A 4445/4885ADORA2B 4668/4885KDM4E 4298/4885
US-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ADORA2A 224/4885ADORA2B 350/4885KDM4E 4007/4885
US-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 ADORA2A 4762/4885ADORA2B 4751/4885KDM4E 1284/4885
US-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ADORA2A 224/4885ADORA2B 350/4885KDM4E 4007/4885
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA ADORA2A 2401/4885ADORA2B 3589/4885KDM4E 1568/4885
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 ADORA2A 4552/4885ADORA2B 4757/4885KDM4E 1802/4885
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP ADORA2A 182/4885ADORA2B 219/4885KDM4E 4006/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ADORA2A 3184/4885ADORA2B 3546/4885KDM4E 2224/4885
US-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof SALL4, GLI2, TCF4 ADORA2A 4409/4885ADORA2B 4467/4885KDM4E 1267/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS ADORA2A 3395/4885ADORA2B 4433/4885KDM4E 3041/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS ADORA2A 3641/4885ADORA2B 4576/4885KDM4E 2526/4885

“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.