SCHEMBL6493095

SCHEMBL6493095

COC(=O)c1c(-c2cccc(CN(C)C)c2)[nH]c2cc(N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.43
TLR7 Q9NYK1 3/20 0.43
TLR9 Q9NR96 2/20 0.43
PARP1 P09874 2/20 0.42
MAP2K5 Q13163 1/20 0.40
MAPK7 Q13164 1/20 0.40
ALOX5 P09917 3/20 0.40
CHUK O15111 1/20 0.40
INSR P06213 1/20 0.40
MAPK8 P45983 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
HTR7 P34969 1/20 0.39
NR4A2 P43354 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CSF1R P07333 1/20 0.38

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
SCHEMBL6495407 0.81 NR4A2 (0.50) PARP1ALOX5NR4A2KDM4EMEN1
SCHEMBL4773059 0.78 CHUK (0.48) TLR8TLR7PARP1MAP2K5CHUK
SCHEMBL28285243 0.71 ALDH1A1 (0.65) ALOX5KDM4EMEN1ALDH1A1HPGD
SCHEMBL28435543 0.71 NR4A2 (0.63) PARP1NR4A2KDM4EMEN1ALDH1A1
SCHEMBL10314414 0.71 MDM4 (0.46) PARP1MAPK8MEN1KMT2AKIF11
SCHEMBL3215920 0.70 CHUK (0.51) TLR8TLR7TLR9PARP1MAP2K5
SCHEMBL1318407 0.69 HSD17B2 (0.54) HTR7KDM4EALDH1A1MAPT
SCHEMBL5438097 0.67 NR4A2 (0.69) ALOX5NR4A2KDM4EMEN1ALDH1A1
SCHEMBL165622 0.67 LOXL2 (0.66) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL9358044 0.67 NR4A2 (0.60) ALOX5NR4A2KDM4EMEN1ALDH1A1

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-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2005-04-07 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-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA TLR8 4677/4885TLR7 4577/4885TLR9 4638/4885

“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.