SCHEMBL17403552

SCHEMBL17403552

CC(C)c1ccc(CN2CC(C)(C)C2)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
HRH3 Q9Y5N1 5/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
KCNH2 Q12809 1/20 0.31
IDH1 O75874 1/20 0.31
SYK P43405 1/20 0.31
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL13466409 0.81 HRH3 (0.48) PRMT5WDR77HRH3HTTSMN1; SMN2
SCHEMBL12880866 0.81 HRH3 (0.51) PRMT5WDR77HRH3HTTSMN1; SMN2
SCHEMBL12880864 0.79 HRH3 (0.53) PRMT5WDR77HRH3HTTSMN1; SMN2
SCHEMBL14924103 0.78 PRMT5 (0.44) PRMT5WDR77HRH3TMEM97SIGMAR1
SCHEMBL13466407 0.78 ALDH1A1 (0.49) PRMT5WDR77HRH3HTTSMN1; SMN2
SCHEMBL12028960 0.77 HRH3 (0.54) PRMT5WDR77HRH3MEN1KMT2A
SCHEMBL20803980 0.77 CXCR4 (0.42) PRMT5WDR77HRH3MEN1KMT2A
SCHEMBL30484420 0.76 TMEM97 (0.40) PRMT5WDR77HRH3KCNH2SYK
SCHEMBL13466414 0.75 CD274 (0.39) PRMT5WDR77KCNH2
SCHEMBL20804102 0.72 XIAP (0.44) PRMT5WDR77

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-9433622-B2 Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-06 US disclosed
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2016-01-07 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 (1 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-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS TBK1, TBKBP1, TYMS PRMT5 2040/4885WDR77 540/4885HRH3 1428/4885

“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.