SCHEMBL14273669

SCHEMBL14273669

CCc1cc2ncnc(C(C)(C)C)c2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 6/20 0.38
VCAM1 P19320 6/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ICAM1 P05362 5/20 0.33
KDM4E B2RXH2 4/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 3/20 0.31
TMIGD3 P0DMS9 1/20 0.30
ADORA1 P30542 1/20 0.30
PDPK1 O15530 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE7A Q13946 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
SCHEMBL19261300 0.77 KIT (0.40) MEN1KMT2APDPK1
SCHEMBL12228869 0.77 MEN1 (0.56) MEN1KMT2APDPK1
SCHEMBL13667855 0.77 SELE (0.41) SELEVCAM1MEN1KMT2AICAM1
SCHEMBL14273702 0.73 SELE (0.61) SELEVCAM1MEN1KMT2AICAM1
SCHEMBL13976072 0.73 SELE (0.38) SELEVCAM1MEN1KMT2AICAM1
SCHEMBL2605679 0.72 GRIN3B (0.36) SELEVCAM1ADORA1
SCHEMBL14090677 0.70 IKBKB (0.61) KMT2ASMN1; SMN2
SCHEMBL14090791 0.68 RAB9A (0.52) KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL13667857 0.67 AR (0.32)
SCHEMBL14817495 0.66 GRIN3B (0.42) SELEVCAM1MEN1KMT2AICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 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-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET SELE 2041/4885VCAM1 377/4885MEN1 3231/4885

“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.