SCHEMBL10041272

SCHEMBL10041272

CC(C)(C)c1nc2ncccc2n1-c1cccc(-n2c(C(C)(C)C)nc3ncccc32)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A12 Q96S37 5/20 0.38
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
DHODH Q02127 1/20 0.32
BRD4 O60885 1/20 0.32
PDE2A O00408 1/20 0.32
POLB P06746 1/20 0.32
IDO1 P14902 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
SCHEMBL14124490 0.87 BACE1 (0.39) BACE1KMT2ASLC22A12CYP2C9CYP2C19
SCHEMBL14124471 0.82 IDO1 (0.41) BACE1KMT2ASLC22A12CYP2C9CYP2C19
SCHEMBL14124487 0.82 IDO1 (0.41) BACE1KMT2ASLC22A12CYP2C9CYP2C19
SCHEMBL10041271 0.81 TSHR (0.42) SLC22A12GAA
SCHEMBL15746018 0.80 BACE1 (0.42) BACE1KMT2ASLC22A12CYP2C19NPC1
SCHEMBL10041264 0.76 BACE1 (0.35) BACE1KMT2ASLC22A12CYP2C19NPC1
SCHEMBL14124504 0.75 IDO1 (0.39) BACE1KMT2ASLC22A12BRD4PDE2A
SCHEMBL14124492 0.73 CCNB2 (0.32)
SCHEMBL6489159 0.70 HTR3E (0.40) BACE1KMT2ANPC1RAB9APDE2A
SCHEMBL14124473 0.70 CNR2 (0.38) SLC22A12RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8147987-B2 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-8147987-B2 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2007-08-30 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-20070202357-A1 Organic electroluminescent element and compounds for use in the element RPL31, RPL38, RPL39 BACE1 2152/4885KMT2A 1256/4885SLC22A12 871/4885

“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.