SCHEMBL20428012

SCHEMBL20428012

CCC(C)(C)c1ccnc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.40
IDH2 P48735 3/20 0.40
MALT1 Q9UDY8 3/20 0.39
CCNE2 O96020 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.33
LOX P28300 1/20 0.32
CTPS1 P17812 1/20 0.31
ADRB1 P08588 1/20 0.31
CBLB Q13191 1/20 0.31

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
SCHEMBL20428031 0.86 ADRB1 (0.37) IDH1IDH2LOXL2LOXADRB1
SCHEMBL18532095 0.85 ADORA2A (0.34)
SCHEMBL20427985 0.83 IDH1 (0.39) IDH1IDH2MALT1AAK1ADRB1
SCHEMBL17109750 0.81 MALT1 (0.43) IDH1IDH2MALT1AAK1LOXL2
SCHEMBL3295825 0.78 MALT1 (0.47) IDH1IDH2MALT1LOXL2LOX
Tert-Butanol SCHEMBL28823763 0.78 MALT1 (0.41) IDH1IDH2MALT1LOXL2ADRB1
SCHEMBL1118377 0.78 MALT1 (0.41) IDH1IDH2MALT1AAK1ADRB1
SCHEMBL18857239 0.78 SYK (0.35)
SCHEMBL1118241 0.78 MALT1 (0.45) IDH1IDH2MALT1AAK1LOXL2
SCHEMBL23671169 0.74 TDP1 (0.35)

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-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 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-10035790-B2 RORγ modulators RORB, RORA, RORC IDH1 2620/4885IDH2 3019/4885MALT1 125/4885

“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.