SCHEMBL798670

SCHEMBL798670

CC(C)c1ccc2nc(C(C)C)nn2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
DYRK1A Q13627 1/20 0.33
NOTUM Q6P988 1/20 0.33
AHR P35869 2/20 0.32
TTK P33981 1/20 0.32
TYR P14679 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
KMT2A Q03164 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK1 P28482 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
SCHEMBL18611836 0.81 TLR8 (0.37) DYRK1ANOTUMAHRTTKTYR
SCHEMBL20088501 0.81 NAMPT (0.43) NAMPTDYRK1AAHRTTKALDH1A1
SCHEMBL10220047 0.80 AHR (0.47) NAMPTAHRALDH1A1KDM4ENPC1
SCHEMBL21929912 0.80 AHR (0.53) NAMPTDYRK1AAHRALDH1A1MEN1
SCHEMBL23692928 0.80 PIK3CG (0.42) DYRK1ANOTUMALDH1A1MEN1NPC1
SCHEMBL20094507 0.80 AHR (0.44) NAMPTAHRALDH1A1KDM4ENPC1
SCHEMBL22675440 0.77 PDE10A (0.32) NAMPTDYRK1ANOTUMFFAR1LMNA
SCHEMBL798669 0.73 AHR (0.33) NAMPTAHRALDH1A1KDM4ENPC1
SCHEMBL6900236 0.72 JAK2 (0.46) NAMPTNPSR1ALDH1A1KDM4EMEN1
SCHEMBL21929765 0.71 NAMPT (0.41) NAMPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-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-20220127260-A1 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 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 (6 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-20220127260-A1 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 NAMPT 1143/4885DYRK1A 399/4885NOTUM 4022/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NAMPT 1325/4885DYRK1A 3180/4885NOTUM 3567/4885
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 NAMPT 1143/4885DYRK1A 399/4885NOTUM 4022/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NAMPT 1361/4885DYRK1A 3782/4885NOTUM 3656/4885
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 NAMPT 2293/4885DYRK1A 1640/4885NOTUM 3682/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 NAMPT 1839/4885DYRK1A 3492/4885NOTUM 1247/4885

“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.