SCHEMBL6134633

SCHEMBL6134633

CC(C)n1nc(-c2sc(NC3CCCCC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ACHE P22303 4/20 0.42
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
PTGS2 P35354 2/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
XIAP P98170 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
MAPT P10636 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PI4KB Q9UBF8 2/20 0.36

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
SCHEMBL6133566 0.86 ADORA1 (0.52) ACHEXIAPMAPTADORA2AADORA1
SCHEMBL6133401 0.84 XIAP (0.42) PTGS2CCNA2CDK2XIAPMAPT
SCHEMBL6133631 0.84 MAOB (0.47) MAPTALDH1A1KDM4ETACR2TACR3
SCHEMBL6134205 0.83 XIAP (0.43) PTGS2XIAPMAPTADORA2AADORA1
SCHEMBL6133625 0.82 ADORA2A (0.56) ACHEXIAPMAPTADORA2AADORA1
Bromide SCHEMBL6134102 0.82 XIAP (0.42) PTGS2XIAPMAPTADORA2AADORA1
SCHEMBL6134187 0.81 XIAP (0.41) PTGS2XIAPMAPTADORA2AADORA1
SCHEMBL6133608 0.81 MEN1 (0.48) NPC1RAB9AXIAPCDK4CCND1
SCHEMBL6133532 0.81 PTGS2 (0.44) PTGS2XIAPMAPTADORA2AADORA1
Bromide SCHEMBL6828822 0.81 MEN1 (0.47) NPC1RAB9AXIAPCDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR NPC1 2391/4885RAB9A 1067/4885ACHE 3391/4885

“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.