SCHEMBL798826

SCHEMBL798826

CC(C)c1cn2nc(C(C)C)ccc2n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.34
AHR P35869 7/20 0.33
MCHR1 Q99705 1/20 0.32
NAMPT P43490 1/20 0.32
TTK P33981 1/20 0.30

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
SCHEMBL12309250 0.85 DYRK1A (0.39) DYRK1AAHRMCHR1NAMPTTTK
SCHEMBL2067022 0.85 DYRK1A (0.50) DYRK1AAHRNAMPTTTK
SCHEMBL3342789 0.83 PDE10A (0.39) DYRK1AAHR
SCHEMBL17229848 0.83 AHR (0.37) DYRK1AAHRMCHR1
SCHEMBL6620552 0.83 KDM4E (0.42) DYRK1AAHRMCHR1
SCHEMBL18806166 0.80 AHR (0.33) DYRK1AAHR
SCHEMBL17229820 0.80 KDM4E (0.38) DYRK1A
SCHEMBL2065644 0.80 DRD2 (0.32) DYRK1ANAMPT
SCHEMBL17229829 0.79 MCHR1 (0.38) AHRMCHR1
SCHEMBL12891186 0.79 PDE10A (0.43) AHRMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-18 US disclosed
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-18 US disclosed
US-9771326-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-09-26 US disclosed
US-20150299123-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-10-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 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 (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-20150299123-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 DYRK1A 3654/4885AHR 3171/4885MCHR1 682/4885
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 DYRK1A 399/4885AHR 1508/4885MCHR1 2325/4885
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 DYRK1A 1640/4885AHR 2343/4885MCHR1 982/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 DYRK1A 3492/4885AHR 4415/4885MCHR1 4806/4885

“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.