SCHEMBL6284661

SCHEMBL6284661

COc1ccc(-c2nc(N)sc2-c2ccncc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.59
MAPT P10636 8/20 0.59
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPK1 P28482 2/20 0.59
XBP1 P17861 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 9/20 0.58
CYP3A4 P08684 2/20 0.58
HSD17B10 Q99714 2/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
PKM P14618 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
MYC P01106 1/20 0.53
WDR5 P61964 1/20 0.53
GAA P10253 3/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL8067414 0.92 MAPT (0.69) KDM4EMAPTLMNASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL9548025 0.91 KDM4E (0.67) KDM4EMAPTLMNASMN1; SMN2MAPK1
SCHEMBL16669665 0.86 ALDH1A1 (0.75) KDM4EMAPTLMNASMN1; SMN2MAPK1
SCHEMBL10120342 0.85 ALDH1A1 (0.73) KDM4EMAPTLMNASMN1; SMN2MAPK1
SCHEMBL10120487 0.85 KDM4E (0.59) KDM4EMAPTLMNASMN1; SMN2MAPK1
SCHEMBL7050538 0.85 MAPT (0.59) KDM4EMAPTLMNASMN1; SMN2MAPK1
SCHEMBL6279903 0.84 SMN1; SMN2 (0.84) KDM4EMAPTLMNASMN1; SMN2MAPK1
Hydrochlorthiazide SCHEMBL9547987 0.84 KDM4E (0.51) KDM4EMAPTLMNASMN1; SMN2MAPK1
SCHEMBL7844066 0.83 PTGS2 (0.59) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL6282476 0.83 CYP19A1 (0.55) KDM4EMAPTLMNASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-1148059-B1 THIAZOLOPYRIMIDINE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA PHARMACEUTICAL (JP) 2004-12-29 EP disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
US-6583146-B1 Adenosine A3 receptor antagonist; asthma; 5-amino-3-(4-methoxyphenyl)-2-(4-pyridyl)-7H-thiazolo(3,2-a) pyrimidin-7-one TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-24 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
EP-1148059-A1 THIAZOLOPYRIMIDINE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-10-24 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 KDM4E 4034/4885MAPT 2844/4885LMNA 3321/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 KDM4E 2889/4885MAPT 2113/4885LMNA 3773/4885

“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.