SCHEMBL798496

SCHEMBL798496

CC(C)c1ccn2nc(C(C)C)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.35
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3CG P48736 3/20 0.32
PIK3CD O00329 1/20 0.32
CCNT1 O60563 7/20 0.31
CDK9 P50750 7/20 0.31
GAA P10253 1/20 0.31
PDE10A Q9Y233 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CDK7 P50613 2/20 0.30
CCNH P51946 2/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 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
SCHEMBL17132540 0.87 KDM4E (0.44) AHRALDH1A1KDM4EMAPK1HTT
SCHEMBL22800215 0.85 AHR (0.32) AHR
SCHEMBL21097673 0.85 KDM4E (0.36) AHRALDH1A1KDM4EMAPK1HTT
SCHEMBL21161035 0.84 POLB (0.35) AHRKDM4EPIK3CGPIK3CD
SCHEMBL21929854 0.83 AHR (0.33) AHRALDH1A1KDM4EMAPK1HTT
SCHEMBL20047533 0.80 KDM4E (0.37) AHRKDM4EPIK3CGPIK3CDPDE10A
SCHEMBL22672595 0.80 APOBEC3A (0.49) ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL26125315 0.79 CCR1 (0.32) AHRPIK3CGPIK3CD
SCHEMBL26128493 0.79 CCR1 (0.32) AHR
SCHEMBL20723215 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 AHR 2343/4885ALDH1A1 1242/4885KDM4E 2716/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 AHR 4415/4885ALDH1A1 3750/4885KDM4E 2191/4885

“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.