SCHEMBL6282476

SCHEMBL6282476

COc1ccc(-c2nc(N)sc2-c2cccnc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.55
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C19 P33261 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP17A1 P05093 2/20 0.52
CYP11B2 P19099 2/20 0.52
CYP11B1 P15538 1/20 0.52
KDM4E B2RXH2 8/20 0.52
CYP3A4 P08684 2/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50

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
Hydrochloric Acid SCHEMBL6545368 0.99 CYP19A1 (0.54) CYP19A1MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL16669665 0.84 ALDH1A1 (0.75) MAPTALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL8067414 0.84 MAPT (0.69) MAPTALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL9666206 0.83 CYP19A1 (0.49) CYP19A1MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL6284661 0.83 KDM4E (0.59) MAPTALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL10120342 0.83 ALDH1A1 (0.73) MAPTALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL9666309 0.83 ALOX5 (0.58) CYP19A1MAPTALDH1A1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL9548025 0.82 KDM4E (0.67) MAPTALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL6546517 0.82 MAPT (0.72) CYP19A1MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL7621279 0.82 MAPK14 (0.51) CYP19A1MAPTALDH1A1CYP1A2CYP2C19

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 11 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-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-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
EP-0149884-B1 5-PYRIDYL-1,3-THIAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-16 EP disclosed
US-4612321-A 5-pyridyl-1,3-thiazole derivatives TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 1986-09-16 US disclosed
EP-0149884-A2 5-Pyridyl-1,3-thiazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-07-31 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 (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-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 CYP19A1 2713/4885MAPT 2113/4885ALDH1A1 3292/4885

“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.