SCHEMBL6136106

SCHEMBL6136106

COCCNc1nc(-c2ccccc2)c(-c2ccc(=O)n(C(C)C)n2)s1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
RECQL P46063 1/20 0.50
PTGS2 P35354 5/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
XIAP P98170 1/20 0.38
PTPN2 P17706 3/20 0.37
PTPN1 P18031 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 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
SCHEMBL6133360 0.89 PTGS2 (0.42) MAPTKDM4EALDH1A1GAALMNA
SCHEMBL6133532 0.87 PTGS2 (0.44) MAPTALDH1A1GAAHTTPTGS2
Bromide SCHEMBL6134027 0.86 PTGS2 (0.40) MAPTALDH1A1PTGS2ADORA2AADORA1
Hydrochloric Acid SCHEMBL6134306 0.86 ADORA2A (0.43) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL6133383 0.85 ALDH1A1 (0.43) MAPTALDH1A1PTGS2XIAPPTPN2
SCHEMBL6134025 0.85 ADORA2A (0.42) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL6133821 0.85 TGFBR1 (0.44) MAPTKDM4EALDH1A1GAALMNA
SCHEMBL6135410 0.85 RAB9A (0.44) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL6134205 0.83 XIAP (0.43) MAPTKDM4EALDH1A1HTTPTGS2
SCHEMBL6133970 0.83 PTGS2 (0.47) MAPTKDM4EALDH1A1GAALMNA

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 MAPT 3008/4885KDM4E 3814/4885ALDH1A1 630/4885

“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.