SCHEMBL2564085

SCHEMBL2564085

CC(C)(C)c1nc(-c2cccnc2)cn1CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
HTR6 P50406 1/20 0.41
CNR2 P34972 3/20 0.40
GBA1 P04062 2/20 0.39
ALDH1A1 P00352 3/20 0.38
REN P00797 2/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
USP19 O94966 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
NAMPT P43490 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
SCHEMBL2571598 0.89 RIPK3 (0.45) TLR8CNR2CYP3A4CYP2C9CYP2C19
SCHEMBL2568565 0.81 TLR8 (0.42) TLR8CNR2KDM4ENPC1RAB9A
SCHEMBL2570586 0.81 CNR2 (0.39) CNR2NPC1RAB9A
SCHEMBL2574935 0.81 CNR2 (0.39) CNR2ALDH1A1NPC1RAB9A
SCHEMBL2572325 0.80 KDM4C (0.47) CNR2
SCHEMBL2570511 0.80 RAB9A (0.40) CNR2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2572164 0.79 ADORA2A (0.47) TLR8ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2574758 0.79 CNR2 (0.40) CNR2NPC1RAB9ACYP2C9
SCHEMBL2569993 0.79 GPR39 (0.42) HTR6CNR2ALDH1A1NPC1RAB9A
SCHEMBL2571643 0.78 KEAP1 (0.48) CNR2ALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 EP 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 (2 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 TLR8 462/4885HTR6 329/4885CNR2 2/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 TLR8 462/4885HTR6 329/4885CNR2 2/4885

“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.